2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C29H31F3N2O3S — CID 68814771

IUPAC2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(c1ccc(C(F)(F)F)cc1)C1CCC(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C29H31F3N2O3S/c30-29(31,32)25-17-15-24(16-18-25)27(28(33)35)23-13-11-22(12-14-23)20-34(19-21-7-3-1-4-8-21)38(36,37)26-9-5-2-6-10-26/h1-10,15-18,22-23,27H,11-14,19-20H2,(H2,33,35)
InChIKeyIKNMLRAHDGBNFL-UHFFFAOYSA-N
MW544.64 g/mol
LogP5.97
Rot. Bonds9

About 2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide

2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 68814771) has the molecular formula C29H31F3N2O3S and a molecular weight of 544.64 g/mol. Its IUPAC name is 2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID68814771
Molecular FormulaC29H31F3N2O3S
Molecular Weight544.64 g/mol
Exact Mass544.20
IUPAC Name2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(c1ccc(C(F)(F)F)cc1)C1CCC(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C29H31F3N2O3S/c30-29(31,32)25-17-15-24(16-18-25)27(28(33)35)23-13-11-22(12-14-23)20-34(19-21-7-3-1-4-8-21)38(36,37)26-9-5-2-6-10-26/h1-10,15-18,22-23,27H,11-14,19-20H2,(H2,33,35)
InChIKeyIKNMLRAHDGBNFL-UHFFFAOYSA-N
XLogP5.97
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.64
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide 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-[4-[[benzyl-(3,5-dimethylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
CID 68815431
2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
CID 68814694
2-[4-(benzenesulfonamidomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 68813718
2-[4-[[benzyl-(3-chloro-2-fluorophenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
CID 68816734
2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
CID 68815631
4-[[benzenesulfonyl(benzyl)amino]methyl]-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 23582443
N-[4-[[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]methyl]cyclohexyl]-N-methyl-2-phenylacetamide
CID 23582317
N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
CID 71050438
N-[benzyl-[(4-methylcyclohexyl)methyl]sulfamoyl]-3,5-bis(trifluoromethyl)benzamide
CID 91438762
N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
CID 59826270
4-[[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]methyl]-N-oxidocyclohexane-1-carboxamide
CID 20967363
[4-[[benzyl-[[3,5-bis(trifluoromethyl)benzoyl]sulfamoyl]amino]methyl]cyclohexyl]methyl methanesulfonate
CID 22574476

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 68814771) is 2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide is NC(=O)C(c1ccc(C(F)(F)F)cc1)C1CCC(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IKNMLRAHDGBNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N2O3S/c30-29(31,32)25-17-15-24(16-18-25)27(28(33)35)23-13-11-22(12-14-23)20-34(19-21-7-3-1-4-8-21)38(36,37)26-9-5-2-6-10-26/h1-10,15-18,22-23,27H,11-14,19-20H2,(H2,33,35).
What are the key properties of 2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 544.64 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 68814771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).