N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide

C17H19ClN2O3S — CID 2913752

IUPACN-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-12-9-10-14(18)11-16(12)19-17(21)13(2)20(24(3,22)23)15-7-5-4-6-8-15/h4-11,13H,1-3H3,(H,19,21)
InChIKeyHBOOLEDQPGDETI-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.44
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide

N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide (PubChem CID 2913752) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
PubChem CID2913752
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-12-9-10-14(18)11-16(12)19-17(21)13(2)20(24(3,22)23)15-7-5-4-6-8-15/h4-11,13H,1-3H3,(H,19,21)
InChIKeyHBOOLEDQPGDETI-UHFFFAOYSA-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

2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248741
N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2955324
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1265240
N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2978939
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)propanamide
CID 126413908
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2943510
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2973866
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1311949
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 7379124

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide (CID 2913752) is N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide is Cc1ccc(Cl)cc1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is HBOOLEDQPGDETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-9-10-14(18)11-16(12)19-17(21)13(2)20(24(3,22)23)15-7-5-4-6-8-15/h4-11,13H,1-3H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide?
N-(5-chloro-2-methylphenyl)-2-(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 N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2913752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).