(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide

C18H21ClN2O3S — CID 1248741

IUPAC(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O3S/c1-12-5-6-13(2)17(11-12)20-18(22)14(3)21(25(4,23)24)16-9-7-15(19)8-10-16/h5-11,14H,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyXGWWHFUDXBGGON-CQSZACIVSA-N
MW380.90 g/mol
LogP3.75
Rot. Bonds5

About (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide

(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 1248741) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
PubChem CID1248741
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O3S/c1-12-5-6-13(2)17(11-12)20-18(22)14(3)21(25(4,23)24)16-9-7-15(19)8-10-16/h5-11,14H,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyXGWWHFUDXBGGON-CQSZACIVSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide 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

(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561203
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)propanamide
CID 126413908
(2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333488
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561113
(2S)-N-(4-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1294176
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 132664782
(2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 124561263
N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 4311330
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
(2S)-N-(2,5-dimethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99132038

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide (CID 1248741) is (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is XGWWHFUDXBGGON-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-12-5-6-13(2)17(11-12)20-18(22)14(3)21(25(4,23)24)16-9-7-15(19)8-10-16/h5-11,14H,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide?
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 380.90 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 1248741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).