N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide

C22H36N2O3S — CID 20630466

IUPACN-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C22H36N2O3S/c1-5-6-7-17-10-14-20(15-11-17)24-21(25)19-12-8-18(9-13-19)16-23-28(26,27)22(2,3)4/h10-11,14-15,18-19,23H,5-9,12-13,16H2,1-4H3,(H,24,25)
InChIKeyOHDZUBMBFRFWFO-UHFFFAOYSA-N
MW408.61 g/mol
LogP4.49
Rot. Bonds8

About N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide

N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 20630466) has the molecular formula C22H36N2O3S and a molecular weight of 408.61 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID20630466
Molecular FormulaC22H36N2O3S
Molecular Weight408.61 g/mol
Exact Mass408.24
IUPAC NameN-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C22H36N2O3S/c1-5-6-7-17-10-14-20(15-11-17)24-21(25)19-12-8-18(9-13-19)16-23-28(26,27)22(2,3)4/h10-11,14-15,18-19,23H,5-9,12-13,16H2,1-4H3,(H,24,25)
InChIKeyOHDZUBMBFRFWFO-UHFFFAOYSA-N
XLogP4.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide 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-[[4-[(4-butylanilino)methyl]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide
CID 59231468
4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
N-(4-butylphenyl)-4-(propan-2-ylsulfinylamino)cyclohexane-1-carboxamide
CID 20630451
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
N-(4-butylphenyl)-5-(tert-butylsulfonylamino)pentanethioamide
CID 20630491
N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride
CID 162755830
N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide
CID 70938800
N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 8025714
N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259804
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 20630466) is N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide is CCCCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is OHDZUBMBFRFWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3S/c1-5-6-7-17-10-14-20(15-11-17)24-21(25)19-12-8-18(9-13-19)16-23-28(26,27)22(2,3)4/h10-11,14-15,18-19,23H,5-9,12-13,16H2,1-4H3,(H,24,25).
What are the key properties of N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 408.61 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-[(tert-butylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20630466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).