(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide

C18H21ClN2O3S — CID 124561308

IUPAC(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-12-8-9-17(13(2)10-12)20-18(22)14(3)21(25(4,23)24)16-7-5-6-15(19)11-16/h5-11,14H,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyLMXYQXPUBPZGFX-AWEZNQCLSA-N
MW380.90 g/mol
LogP3.75
Rot. Bonds5

About (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide

(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 124561308) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
PubChem CID124561308
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-12-8-9-17(13(2)10-12)20-18(22)14(3)21(25(4,23)24)16-7-5-6-15(19)11-16/h5-11,14H,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyLMXYQXPUBPZGFX-AWEZNQCLSA-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

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 132664782
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132656635
(2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 124561263
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248741
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126384834
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
CID 132663994
N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132654304
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide (CID 124561308) is (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is LMXYQXPUBPZGFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-12-8-9-17(13(2)10-12)20-18(22)14(3)21(25(4,23)24)16-7-5-6-15(19)11-16/h5-11,14H,1-4H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide?
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-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 (2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 124561308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).