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

C21H26N2O3S — CID 3192980

IUPAC1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-17-6-5-7-18(16-17)10-13-22-21(24)19-11-14-23(15-12-19)27(25,26)20-8-3-2-4-9-20/h2-9,16,19H,10-15H2,1H3,(H,22,24)
InChIKeyJJWNLWDROXQVJY-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.75
Rot. Bonds6

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

1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 3192980) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID3192980
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-17-6-5-7-18(16-17)10-13-22-21(24)19-11-14-23(15-12-19)27(25,26)20-8-3-2-4-9-20/h2-9,16,19H,10-15H2,1H3,(H,22,24)
InChIKeyJJWNLWDROXQVJY-UHFFFAOYSA-N
XLogP2.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide (CID 3192980) is 1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide is Cc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is JJWNLWDROXQVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17-6-5-7-18(16-17)10-13-22-21(24)19-11-14-23(15-12-19)27(25,26)20-8-3-2-4-9-20/h2-9,16,19H,10-15H2,1H3,(H,22,24).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 3192980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).