N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide

C22H27NO3S — CID 134941304

IUPACN-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide
SMILESCC(=O)c1cccc(C(NS(=O)(=O)c2ccc(C)cc2)C2CCCCC2)c1
InChIInChI=1S/C22H27NO3S/c1-16-11-13-21(14-12-16)27(25,26)23-22(18-7-4-3-5-8-18)20-10-6-9-19(15-20)17(2)24/h6,9-15,18,22-23H,3-5,7-8H2,1-2H3
InChIKeyQYOWFKYUWMYFMI-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.80
Rot. Bonds6

About N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide

N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide (PubChem CID 134941304) has the molecular formula C22H27NO3S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide
PubChem CID134941304
Molecular FormulaC22H27NO3S
Molecular Weight385.53 g/mol
Exact Mass385.17
IUPAC NameN-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide
SMILESCC(=O)c1cccc(C(NS(=O)(=O)c2ccc(C)cc2)C2CCCCC2)c1
InChIInChI=1S/C22H27NO3S/c1-16-11-13-21(14-12-16)27(25,26)23-22(18-7-4-3-5-8-18)20-10-6-9-19(15-20)17(2)24/h6,9-15,18,22-23H,3-5,7-8H2,1-2H3
InChIKeyQYOWFKYUWMYFMI-UHFFFAOYSA-N
XLogP4.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide 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-methylphenyl)methyl]benzenesulfonamide
CID 11393771
4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide
CID 101180255
3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide
CID 90498860
3-[cyclobutyl(methylamino)methyl]benzoic acid
CID 116953914
N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide
CID 18131238
methyl (2S,3R)-2-(benzhydrylideneamino)-3-cyclohexyl-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 10984145
ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 15533211
3-acetyl-N-[cyano-(4-methylphenyl)methyl]benzenesulfonamide
CID 110664264
CID 10928938
CID 10928938
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide (CID 134941304) is N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide is CC(=O)c1cccc(C(NS(=O)(=O)c2ccc(C)cc2)C2CCCCC2)c1.
What is the InChIKey of N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide?
The InChIKey is QYOWFKYUWMYFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3S/c1-16-11-13-21(14-12-16)27(25,26)23-22(18-7-4-3-5-8-18)20-10-6-9-19(15-20)17(2)24/h6,9-15,18,22-23H,3-5,7-8H2,1-2H3.
What are the key properties of N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide?
N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide has a molecular weight of 385.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134941304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).