1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide

C21H26N2O3S — CID 3151840

IUPAC1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCc3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O3S/c1-17-9-11-20(12-10-17)27(25,26)23-15-5-8-19(16-23)21(24)22-14-13-18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24)
InChIKeyNVCDSFGOCFZFFO-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.75
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide

1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 3151840) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID3151840
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCc3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O3S/c1-17-9-11-20(12-10-17)27(25,26)23-15-5-8-19(16-23)21(24)22-14-13-18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24)
InChIKeyNVCDSFGOCFZFFO-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-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide (CID 3151840) is 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCc3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is NVCDSFGOCFZFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17-9-11-20(12-10-17)27(25,26)23-15-5-8-19(16-23)21(24)22-14-13-18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-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-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 3151840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).