(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide

C17H19FN2O3S — CID 124561242

IUPAC(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19FN2O3S/c1-12-6-4-5-7-16(12)19-17(21)13(2)20(24(3,22)23)15-10-8-14(18)9-11-15/h4-11,13H,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyNLXBABWUIDYSHV-ZDUSSCGKSA-N
MW350.42 g/mol
LogP2.93
Rot. Bonds5

About (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide

(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide (PubChem CID 124561242) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
PubChem CID124561242
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19FN2O3S/c1-12-6-4-5-7-16(12)19-17(21)13(2)20(24(3,22)23)15-10-8-14(18)9-11-15/h4-11,13H,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyNLXBABWUIDYSHV-ZDUSSCGKSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)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-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 40965051
(2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 124561263
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991418
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)propanamide
CID 132660136
2-(4-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 84894608
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 53281549
(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991456
(2R)-N-(2,4-difluorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2239790
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126136461
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133229238

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide (CID 124561242) is (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is NLXBABWUIDYSHV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12-6-4-5-7-16(12)19-17(21)13(2)20(24(3,22)23)15-10-8-14(18)9-11-15/h4-11,13H,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 124561242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).