(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide

C17H19ClN2O3S — CID 126384834

IUPAC(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12-7-9-16(10-8-12)20(24(3,22)23)13(2)17(21)19-15-6-4-5-14(18)11-15/h4-11,13H,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyALXPMKGMERUDMN-CYBMUJFWSA-N
MW366.87 g/mol
LogP3.44
Rot. Bonds5

About (2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide

(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 126384834) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID126384834
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12-7-9-16(10-8-12)20(24(3,22)23)13(2)17(21)19-15-6-4-5-14(18)11-15/h4-11,13H,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyALXPMKGMERUDMN-CYBMUJFWSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1317717
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126412221
(2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 1265285
(2R)-N-(3,4-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126386869
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 124554196
(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126416687
(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234672
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234263
N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2978487
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 126386881
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide (CID 126384834) is (2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is ALXPMKGMERUDMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-7-9-16(10-8-12)20(24(3,22)23)13(2)17(21)19-15-6-4-5-14(18)11-15/h4-11,13H,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 366.87 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 126384834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).