N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide

C21H25FN2O3S — CID 53287040

IUPACN-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NC2CCCCC2)cc1)c1ccccc1F
InChIInChI=1S/C21H25FN2O3S/c1-28(26,27)24(20-10-6-5-9-19(20)22)15-16-11-13-17(14-12-16)21(25)23-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H,23,25)
InChIKeyYJKZPXZSYFYNMU-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.85
Rot. Bonds6

About N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide

N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide (PubChem CID 53287040) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
PubChem CID53287040
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NC2CCCCC2)cc1)c1ccccc1F
InChIInChI=1S/C21H25FN2O3S/c1-28(26,27)24(20-10-6-5-9-19(20)22)15-16-11-13-17(14-12-16)21(25)23-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H,23,25)
InChIKeyYJKZPXZSYFYNMU-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide 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

N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282659
2-[(4-chlorophenyl)methyl-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 132624900
N-cyclohexyl-2-[[2-(2-fluoro-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 133252591
N-cyclohexyl-2-[[2-(2-fluoro-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133176699
4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287397
N-cyclopentyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoyl-[(4-fluorophenyl)methyl]amino]butanamide
CID 132624462
4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100507605
N-[(4-chlorophenyl)methyl]-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 125090287
N-[(2R)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]-4-(2-fluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]butanamide
CID 125103574
N-[[4-(dimethylamino)phenyl]methyl]-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
CID 53287203
(2R)-N-cyclohexyl-2-[[2-(2-fluoro-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 125059599
2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
CID 53280424

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide (CID 53287040) is N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide is CS(=O)(=O)N(Cc1ccc(C(=O)NC2CCCCC2)cc1)c1ccccc1F.
What is the InChIKey of N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is YJKZPXZSYFYNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-28(26,27)24(20-10-6-5-9-19(20)22)15-16-11-13-17(14-12-16)21(25)23-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H,23,25).
What are the key properties of N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide?
N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 53287040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).