4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide

C27H37N3O3S — CID 46381921

IUPAC4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(CCNS(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C27H37N3O3S/c1-21-6-5-9-25(20-21)29-27(31)30-18-15-22(16-19-30)14-17-28-34(32,33)26-12-10-24(11-13-26)23-7-3-2-4-8-23/h5-6,9-13,20,22-23,28H,2-4,7-8,14-19H2,1H3,(H,29,31)
InChIKeyNOSVGAZTZFRDLJ-UHFFFAOYSA-N
MW483.68 g/mol
LogP5.66
Rot. Bonds7

About 4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide

4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 46381921) has the molecular formula C27H37N3O3S and a molecular weight of 483.68 g/mol. Its IUPAC name is 4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID46381921
Molecular FormulaC27H37N3O3S
Molecular Weight483.68 g/mol
Exact Mass483.26
IUPAC Name4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(CCNS(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C27H37N3O3S/c1-21-6-5-9-25(20-21)29-27(31)30-18-15-22(16-19-30)14-17-28-34(32,33)26-12-10-24(11-13-26)23-7-3-2-4-8-23/h5-6,9-13,20,22-23,28H,2-4,7-8,14-19H2,1H3,(H,29,31)
InChIKeyNOSVGAZTZFRDLJ-UHFFFAOYSA-N
XLogP5.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.68
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103802
N-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
CID 46381899
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 41430122
2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 97472874
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
N-[4-(propylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2987866
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide (CID 46381921) is 4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(CCNS(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)c1.
What is the InChIKey of 4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is NOSVGAZTZFRDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3S/c1-21-6-5-9-25(20-21)29-27(31)30-18-15-22(16-19-30)14-17-28-34(32,33)26-12-10-24(11-13-26)23-7-3-2-4-8-23/h5-6,9-13,20,22-23,28H,2-4,7-8,14-19H2,1H3,(H,29,31).
What are the key properties of 4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 483.68 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46381921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).