4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide

C22H26N2O3S — CID 22750837

IUPAC4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide
SMILESCc1cccc(CC2CCN(C(=O)NS(=O)(=O)/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O3S/c1-18-6-5-9-21(16-18)17-20-10-13-24(14-11-20)22(25)23-28(26,27)15-12-19-7-3-2-4-8-19/h2-9,12,15-16,20H,10-11,13-14,17H2,1H3,(H,23,25)/b15-12+
InChIKeyHHAHIYDBAXUFHI-NTCAYCPXSA-N
MW398.53 g/mol
LogP3.96
Rot. Bonds5

About 4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide

4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide (PubChem CID 22750837) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide
PubChem CID22750837
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide
SMILESCc1cccc(CC2CCN(C(=O)NS(=O)(=O)/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O3S/c1-18-6-5-9-21(16-18)17-20-10-13-24(14-11-20)22(25)23-28(26,27)15-12-19-7-3-2-4-8-19/h2-9,12,15-16,20H,10-11,13-14,17H2,1H3,(H,23,25)/b15-12+
InChIKeyHHAHIYDBAXUFHI-NTCAYCPXSA-N
XLogP3.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid
CID 22750857
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046
1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
CID 108996770
4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide
CID 108907226
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 76868299
4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
CID 112969940
4-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide
CID 25326457
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
CID 112995483
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 87747906
(E)-3-(4-aminophenyl)-1-(4-benzylpiperidin-1-yl)prop-2-en-1-one
CID 84552569
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide (CID 22750837) is 4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide is Cc1cccc(CC2CCN(C(=O)NS(=O)(=O)/C=C/c3ccccc3)CC2)c1.
What is the InChIKey of 4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide?
The InChIKey is HHAHIYDBAXUFHI-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-18-6-5-9-21(16-18)17-20-10-13-24(14-11-20)22(25)23-28(26,27)15-12-19-7-3-2-4-8-19/h2-9,12,15-16,20H,10-11,13-14,17H2,1H3,(H,23,25)/b15-12+.
What are the key properties of 4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide?
4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 22750837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).