3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide

C17H19ClN2O3S — CID 133255260

IUPAC3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CC(NS(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12-5-3-4-6-15(12)19-17(21)11-16(20-24(2,22)23)13-7-9-14(18)10-8-13/h3-10,16,20H,11H2,1-2H3,(H,19,21)
InChIKeyYSEKORHZHRQETJ-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.27
Rot. Bonds6

About 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide

3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide (PubChem CID 133255260) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
PubChem CID133255260
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CC(NS(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12-5-3-4-6-15(12)19-17(21)11-16(20-24(2,22)23)13-7-9-14(18)10-8-13/h3-10,16,20H,11H2,1-2H3,(H,19,21)
InChIKeyYSEKORHZHRQETJ-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783701
(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783730
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
(3S)-N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784376
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783017
N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 133255322
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783706
(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783711
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide
CID 133255263
(3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783863
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)propanamide
CID 133255349

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide (CID 133255260) is 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CC(NS(C)(=O)=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide?
The InChIKey is YSEKORHZHRQETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-5-3-4-6-15(12)19-17(21)11-16(20-24(2,22)23)13-7-9-14(18)10-8-13/h3-10,16,20H,11H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide?
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide has a molecular weight of 366.87 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 133255260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).