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3-(2-chlorophenyl)-N-(2-methanesulfonamidoethyl)-3-phenylpropanamide

ChemBase ID: 450194
Molecular Formular: C18H21ClN2O3S
Molecular Mass: 380.88894
Monoisotopic Mass: 380.09614122
SMILES and InChIs

SMILES:
S(=O)(=O)(NCCNC(=O)CC(c1c(Cl)cccc1)c1ccccc1)C
Canonical SMILES:
O=C(CC(c1ccccc1Cl)c1ccccc1)NCCNS(=O)(=O)C
InChI:
InChI=1S/C18H21ClN2O3S/c1-25(23,24)21-12-11-20-18(22)13-16(14-7-3-2-4-8-14)15-9-5-6-10-17(15)19/h2-10,16,21H,11-13H2,1H3,(H,20,22)
InChIKey:
UMIZJIRJCGRGLH-UHFFFAOYSA-N

Cite this record

CBID:450194 http://www.chembase.cn/molecule-450194.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-chlorophenyl)-N-(2-methanesulfonamidoethyl)-3-phenylpropanamide
IUPAC Traditional name
3-(2-chlorophenyl)-N-(2-methanesulfonamidoethyl)-3-phenylpropanamide
Synonyms
3-(2-chlorophenyl)-N-{2-[(methylsulfonyl)amino]ethyl}-3-phenylpropanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.527335  H Acceptors
H Donor LogD (pH = 5.5) 2.0140653 
LogD (pH = 7.4) 2.014037  Log P 2.0140655 
Molar Refractivity 99.1285 cm3 Polarizability 39.3726 Å3
Polar Surface Area 75.27 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.35  LOG S -3.98 
Polar Surface Area 75.27 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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