4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide

C20H22N2O3S — CID 91409956

IUPAC4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide
SMILESNC(=O)c1ccc(C2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3S/c21-20(23)19-8-6-17(7-9-19)18-10-13-22(14-11-18)26(24,25)15-12-16-4-2-1-3-5-16/h1-9,12,15,18H,10-11,13-14H2,(H2,21,23)
InChIKeyFTGVKNDOFIPBSM-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.97
Rot. Bonds5

About 4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide

4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide (PubChem CID 91409956) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide
PubChem CID91409956
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide
SMILESNC(=O)c1ccc(C2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3S/c21-20(23)19-8-6-17(7-9-19)18-10-13-22(14-11-18)26(24,25)15-12-16-4-2-1-3-5-16/h1-9,12,15,18H,10-11,13-14H2,(H2,21,23)
InChIKeyFTGVKNDOFIPBSM-UHFFFAOYSA-N
XLogP2.97
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8748577
(2-methylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51154227
N-[[2-(hydroxymethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 135337016
N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 55551266
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide
CID 9493426
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide
CID 30756070
N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
CID 9480115
(4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 55605217
(2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
CID 51291409
N-[2-(benzylamino)-2-oxoethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 39821898
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide (CID 91409956) is 4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide is NC(=O)c1ccc(C2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide?
The InChIKey is FTGVKNDOFIPBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c21-20(23)19-8-6-17(7-9-19)18-10-13-22(14-11-18)26(24,25)15-12-16-4-2-1-3-5-16/h1-9,12,15,18H,10-11,13-14H2,(H2,21,23).
What are the key properties of 4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide?
4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide has a molecular weight of 370.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91409956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).