4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide

C23H23FN2O3S — CID 21173638

IUPAC4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O3S/c1-30(28,29)26(20-15-13-19(24)14-16-20)17-7-12-23(27)25-22-11-6-5-10-21(22)18-8-3-2-4-9-18/h2-6,8-11,13-16H,7,12,17H2,1H3,(H,25,27)
InChIKeyZWDBWRSWPKZPRX-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.68
Rot. Bonds8

About 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide

4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide (PubChem CID 21173638) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
PubChem CID21173638
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O3S/c1-30(28,29)26(20-15-13-19(24)14-16-20)17-7-12-23(27)25-22-11-6-5-10-21(22)18-8-3-2-4-9-18/h2-6,8-11,13-16H,7,12,17H2,1H3,(H,25,27)
InChIKeyZWDBWRSWPKZPRX-UHFFFAOYSA-N
XLogP4.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide 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

4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
CID 100607353
N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285321
4-(4-fluoro-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100532455
2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 21368313
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-phenylphenyl)acetamide
CID 1314109
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
CID 9173147
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 4541167
N-(5-chloro-2-methylphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173354
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide
CID 100582106
4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 9173695
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(2-phenylphenyl)acetamide
CID 126124352

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide?
The IUPAC name of 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide (CID 21173638) is 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide.
What is the SMILES notation for 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide?
The canonical SMILES for 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide is CS(=O)(=O)N(CCCC(=O)Nc1ccccc1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide?
The InChIKey is ZWDBWRSWPKZPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-30(28,29)26(20-15-13-19(24)14-16-20)17-7-12-23(27)25-22-11-6-5-10-21(22)18-8-3-2-4-9-18/h2-6,8-11,13-16H,7,12,17H2,1H3,(H,25,27).
What are the key properties of 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide?
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide has a molecular weight of 426.51 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide is sourced from PubChem (CID 21173638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).