N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide

C18H21FN2O3S — CID 53281549

IUPACN-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(NC(=O)C(C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C18H21FN2O3S/c1-12-5-8-16(11-13(12)2)20-18(22)14(3)21(25(4,23)24)17-9-6-15(19)7-10-17/h5-11,14H,1-4H3,(H,20,22)
InChIKeyRRIANYLJCAPLSP-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.24
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 53281549) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID53281549
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(NC(=O)C(C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C18H21FN2O3S/c1-12-5-8-16(11-13(12)2)20-18(22)14(3)21(25(4,23)24)17-9-6-15(19)7-10-17/h5-11,14H,1-4H3,(H,20,22)
InChIKeyRRIANYLJCAPLSP-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)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

(2R)-N-(3,4-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126386869
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991418
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 99131961
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 126388586
2-(4-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 84894608
(2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991470
(2S)-N-(4-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1294176
(2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 124561263
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 132661875
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 124561242
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294
N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2964493

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide (CID 53281549) is N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide is Cc1ccc(NC(=O)C(C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is RRIANYLJCAPLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12-5-8-16(11-13(12)2)20-18(22)14(3)21(25(4,23)24)17-9-6-15(19)7-10-17/h5-11,14H,1-4H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 364.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 53281549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).