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

C14H21ClN2O3S — CID 133255263

IUPAC3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CC(NS(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-10(2)9-16-14(18)8-13(17-21(3,19)20)11-4-6-12(15)7-5-11/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyDWIQQXOACQPPFR-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.09
Rot. Bonds7

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

3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide (PubChem CID 133255263) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide
PubChem CID133255263
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CC(NS(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-10(2)9-16-14(18)8-13(17-21(3,19)20)11-4-6-12(15)7-5-11/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyDWIQQXOACQPPFR-UHFFFAOYSA-N
XLogP2.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-butyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783583
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
(3S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782864
(3S)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782863
(3R)-3-(4-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methanesulfonamido)propanamide
CID 100783556
(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100783542
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 133255322
(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-(2-methylphenyl)propanamide
CID 133255260
(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783706

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide (CID 133255263) is 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CC(NS(C)(=O)=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide?
The InChIKey is DWIQQXOACQPPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10(2)9-16-14(18)8-13(17-21(3,19)20)11-4-6-12(15)7-5-11/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide?
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide has a molecular weight of 332.85 g/mol, XLogP of 2.09, 7 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-methylpropyl)propanamide is sourced from PubChem (CID 133255263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).