N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C23H29N3O3S — CID 55723283

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCC1CCCCN1CCNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C23H29N3O3S/c1-19-7-5-6-16-26(19)17-15-24-23(27)21-10-12-22(13-11-21)25-30(28,29)18-14-20-8-3-2-4-9-20/h2-4,8-14,18-19,25H,5-7,15-17H2,1H3,(H,24,27)/b18-14+
InChIKeyASOROOAAZWQMBQ-NBVRZTHBSA-N
MW427.57 g/mol
LogP3.70
Rot. Bonds8

About N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 55723283) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID55723283
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCC1CCCCN1CCNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C23H29N3O3S/c1-19-7-5-6-16-26(19)17-15-24-23(27)21-10-12-22(13-11-21)25-30(28,29)18-14-20-8-3-2-4-9-20/h2-4,8-14,18-19,25H,5-7,15-17H2,1H3,(H,24,27)/b18-14+
InChIKeyASOROOAAZWQMBQ-NBVRZTHBSA-N
XLogP3.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylcyclohexyl)oxyethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55724201
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 55723617
4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 84975147
N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide
CID 97428973
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9473547
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800
(E)-N-[4-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]-2-phenylethenesulfonamide
CID 9164284
ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473918

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 55723283) is N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is CC1CCCCN1CCNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is ASOROOAAZWQMBQ-NBVRZTHBSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-19-7-5-6-16-26(19)17-15-24-23(27)21-10-12-22(13-11-21)25-30(28,29)18-14-20-8-3-2-4-9-20/h2-4,8-14,18-19,25H,5-7,15-17H2,1H3,(H,24,27)/b18-14+.
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 427.57 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 55723283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).