N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide

C16H23ClN2O4S — CID 95118849

IUPACN-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
SMILESCC[C@H](C(=O)N1CCCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O4S/c1-4-14(16(20)18-9-5-6-10-18)19(24(3,21)22)12-7-8-15(23-2)13(17)11-12/h7-8,11,14H,4-6,9-10H2,1-3H3/t14-/m1/s1
InChIKeyNURQZHXWDSVIHW-CQSZACIVSA-N
MW374.89 g/mol
LogP2.52
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide

N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide (PubChem CID 95118849) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
PubChem CID95118849
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
SMILESCC[C@H](C(=O)N1CCCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O4S/c1-4-14(16(20)18-9-5-6-10-18)19(24(3,21)22)12-7-8-15(23-2)13(17)11-12/h7-8,11,14H,4-6,9-10H2,1-3H3/t14-/m1/s1
InChIKeyNURQZHXWDSVIHW-CQSZACIVSA-N
XLogP2.52
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)methanesulfonamide
CID 50947033
N-(3-methylphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
CID 95118898
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118554
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118793
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)butanamide
CID 132667578
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide
CID 132667575
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(3-chloro-4-methylphenoxy)ethyl]butanamide
CID 133245007
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 133190903
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]butanamide
CID 125057989
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2,5-diethylphenyl)methyl]butanamide
CID 100763029
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide
CID 133230542
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132673402

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide (CID 95118849) is N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide is CC[C@H](C(=O)N1CCCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide?
The InChIKey is NURQZHXWDSVIHW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-4-14(16(20)18-9-5-6-10-18)19(24(3,21)22)12-7-8-15(23-2)13(17)11-12/h7-8,11,14H,4-6,9-10H2,1-3H3/t14-/m1/s1.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide?
N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide has a molecular weight of 374.89 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide is sourced from PubChem (CID 95118849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).