1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide

C21H26N2O4S — CID 3228463

IUPAC1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(C)c3)C2)cc1
InChIInChI=1S/C21H26N2O4S/c1-3-27-19-9-11-20(12-10-19)28(25,26)23-13-5-7-17(15-23)21(24)22-18-8-4-6-16(2)14-18/h4,6,8-12,14,17H,3,5,7,13,15H2,1-2H3,(H,22,24)
InChIKeyJVXFTVGSGMQADQ-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.43
Rot. Bonds6

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

1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 3228463) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID3228463
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(C)c3)C2)cc1
InChIInChI=1S/C21H26N2O4S/c1-3-27-19-9-11-20(12-10-19)28(25,26)23-13-5-7-17(15-23)21(24)22-18-8-4-6-16(2)14-18/h4,6,8-12,14,17H,3,5,7,13,15H2,1-2H3,(H,22,24)
InChIKeyJVXFTVGSGMQADQ-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide (CID 3228463) is 1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide is CCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(C)c3)C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is JVXFTVGSGMQADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-3-27-19-9-11-20(12-10-19)28(25,26)23-13-5-7-17(15-23)21(24)22-18-8-4-6-16(2)14-18/h4,6,8-12,14,17H,3,5,7,13,15H2,1-2H3,(H,22,24).
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 3228463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).