3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide

C22H21ClN2O3S — CID 50740235

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
SMILESCc1cccc(NC(=O)CC(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1
InChIInChI=1S/C22H21ClN2O3S/c1-16-6-5-9-19(14-16)24-22(26)15-21(17-7-3-2-4-8-17)25-29(27,28)20-12-10-18(23)11-13-20/h2-14,21,25H,15H2,1H3,(H,24,26)
InChIKeyUKGQDAXMCBSKMF-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.70
Rot. Bonds7

About 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide

3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide (PubChem CID 50740235) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
PubChem CID50740235
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
SMILESCc1cccc(NC(=O)CC(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1
InChIInChI=1S/C22H21ClN2O3S/c1-16-6-5-9-19(14-16)24-22(26)15-21(17-7-3-2-4-8-17)25-29(27,28)20-12-10-18(23)11-13-20/h2-14,21,25H,15H2,1H3,(H,24,26)
InChIKeyUKGQDAXMCBSKMF-UHFFFAOYSA-N
XLogP4.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-bromo-4-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 126010101
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783706
(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783711
N-[(E)-5-(4-chlorophenyl)-3-oxo-1-phenylpent-4-enyl]-4-methylbenzenesulfonamide
CID 101494243
S-(4-chlorophenyl) (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanethioate
CID 16731789
3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 50740454
(3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 126341390
3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 42937533
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100784306
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide
CID 133255321

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide (CID 50740235) is 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide is Cc1cccc(NC(=O)CC(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide?
The InChIKey is UKGQDAXMCBSKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-16-6-5-9-19(14-16)24-22(26)15-21(17-7-3-2-4-8-17)25-29(27,28)20-12-10-18(23)11-13-20/h2-14,21,25H,15H2,1H3,(H,24,26).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide has a molecular weight of 428.94 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 50740235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).