4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide

C22H28N2O3S — CID 52708157

IUPAC4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-2-23-22(25)20-10-8-17(9-11-20)16-24-28(26,27)21-14-12-19(13-15-21)18-6-4-3-5-7-18/h8-15,18,24H,2-7,16H2,1H3,(H,23,25)
InChIKeyUVBXXSJDFIIFNS-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.96
Rot. Bonds7

About 4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide

4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide (PubChem CID 52708157) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide
PubChem CID52708157
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-2-23-22(25)20-10-8-17(9-11-20)16-24-28(26,27)21-14-12-19(13-15-21)18-6-4-3-5-7-18/h8-15,18,24H,2-7,16H2,1H3,(H,23,25)
InChIKeyUVBXXSJDFIIFNS-UHFFFAOYSA-N
XLogP3.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 55952714
N-ethyl-4-piperidin-3-ylbenzamide
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4-cyclohexyl-N-[2-(ethylamino)ethyl]benzamide
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N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide
CID 87748545
N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide
CID 33145606
N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide
CID 63731804
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
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N-ethyl-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide?
The IUPAC name of 4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide (CID 52708157) is 4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide?
The canonical SMILES for 4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide is CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide?
The InChIKey is UVBXXSJDFIIFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-2-23-22(25)20-10-8-17(9-11-20)16-24-28(26,27)21-14-12-19(13-15-21)18-6-4-3-5-7-18/h8-15,18,24H,2-7,16H2,1H3,(H,23,25).
What are the key properties of 4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide?
4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 52708157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).