3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide

C16H24N2O3S — CID 84584646

IUPAC3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCCS(=O)(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H24N2O3S/c1-13-6-5-7-14(12-13)16(19)17-10-11-22(20,21)18-15-8-3-2-4-9-15/h2-4,8-9,13-14,18H,5-7,10-12H2,1H3,(H,17,19)
InChIKeyVCRWPLZKQLTGJP-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.37
Rot. Bonds6

About 3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide

3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 84584646) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide
PubChem CID84584646
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCCS(=O)(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H24N2O3S/c1-13-6-5-7-14(12-13)16(19)17-10-11-22(20,21)18-15-8-3-2-4-9-15/h2-4,8-9,13-14,18H,5-7,10-12H2,1H3,(H,17,19)
InChIKeyVCRWPLZKQLTGJP-UHFFFAOYSA-N
XLogP2.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide
CID 129071865
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110408207
6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 99849397
3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide
CID 110615734
3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114174954
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
N-(cyanomethyl)-3-methylcyclohexane-1-carboxamide
CID 130747164
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119800489
2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110408216

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide (CID 84584646) is 3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide is CC1CCCC(C(=O)NCCS(=O)(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is VCRWPLZKQLTGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13-6-5-7-14(12-13)16(19)17-10-11-22(20,21)18-15-8-3-2-4-9-15/h2-4,8-9,13-14,18H,5-7,10-12H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide?
3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(phenylsulfamoyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 84584646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).