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

C24H30FN3O4S — CID 100509528

IUPACN-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C24H30FN3O4S/c1-33(31,32)28(22-15-8-6-13-20(22)25)17-9-16-23(29)27-21-14-7-5-12-19(21)24(30)26-18-10-3-2-4-11-18/h5-8,12-15,18H,2-4,9-11,16-17H2,1H3,(H,26,30)(H,27,29)
InChIKeyUZMCWZRDBJOGGY-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.07
Rot. Bonds9

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

N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide (PubChem CID 100509528) has the molecular formula C24H30FN3O4S and a molecular weight of 475.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide
PubChem CID100509528
Molecular FormulaC24H30FN3O4S
Molecular Weight475.59 g/mol
Exact Mass475.19
IUPAC NameN-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C24H30FN3O4S/c1-33(31,32)28(22-15-8-6-13-20(22)25)17-9-16-23(29)27-21-14-7-5-12-19(21)24(30)26-18-10-3-2-4-11-18/h5-8,12-15,18H,2-4,9-11,16-17H2,1H3,(H,26,30)(H,27,29)
InChIKeyUZMCWZRDBJOGGY-UHFFFAOYSA-N
XLogP4.07
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 2929125
N-cyclohexyl-2-(dodecanoylamino)benzamide
CID 25137451
N-(2,5-dimethylphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287630
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663
N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 100559039
N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide
CID 2956335
N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
CID 53287040
N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)butanamide
CID 132623900
N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide
CID 1311166
N-cyclopentyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoyl-[(4-fluorophenyl)methyl]amino]butanamide
CID 132624462
N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
CID 100641559
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)butanamide
CID 132621734

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide?
The IUPAC name of N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide (CID 100509528) is N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide is CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1F.
What is the InChIKey of N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide?
The InChIKey is UZMCWZRDBJOGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4S/c1-33(31,32)28(22-15-8-6-13-20(22)25)17-9-16-23(29)27-21-14-7-5-12-19(21)24(30)26-18-10-3-2-4-11-18/h5-8,12-15,18H,2-4,9-11,16-17H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide?
N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide has a molecular weight of 475.59 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide is sourced from PubChem (CID 100509528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).