N-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C18H26N2O3S — CID 3150975

IUPACN-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)C2)cc1
InChIInChI=1S/C18H26N2O3S/c1-14-8-10-17(11-9-14)24(22,23)20-12-4-5-15(13-20)18(21)19-16-6-2-3-7-16/h8-11,15-16H,2-7,12-13H2,1H3,(H,19,21)
InChIKeyAGSKRWGNZPYRIU-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.45
Rot. Bonds4

About N-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 3150975) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID3150975
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)C2)cc1
InChIInChI=1S/C18H26N2O3S/c1-14-8-10-17(11-9-14)24(22,23)20-12-4-5-15(13-20)18(21)19-16-6-2-3-7-16/h8-11,15-16H,2-7,12-13H2,1H3,(H,19,21)
InChIKeyAGSKRWGNZPYRIU-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 3150975) is N-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)C2)cc1.
What is the InChIKey of N-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is AGSKRWGNZPYRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-8-10-17(11-9-14)24(22,23)20-12-4-5-15(13-20)18(21)19-16-6-2-3-7-16/h8-11,15-16H,2-7,12-13H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3150975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).