4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide

C22H26N2O3S — CID 109059643

IUPAC4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H26N2O3S/c25-22(23-16-15-18-7-3-1-4-8-18)20-11-13-21(14-12-20)28(26,27)24-17-19-9-5-2-6-10-19/h2,5-7,9-14,24H,1,3-4,8,15-17H2,(H,23,25)
InChIKeyDRAMOQHKZWSHPP-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.79
Rot. Bonds8

About 4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide

4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide (PubChem CID 109059643) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
PubChem CID109059643
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H26N2O3S/c25-22(23-16-15-18-7-3-1-4-8-18)20-11-13-21(14-12-20)28(26,27)24-17-19-9-5-2-6-10-19/h2,5-7,9-14,24H,1,3-4,8,15-17H2,(H,23,25)
InChIKeyDRAMOQHKZWSHPP-UHFFFAOYSA-N
XLogP3.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109059644
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 38105049
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-phenylbenzamide
CID 109059673
2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112991103
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109059659
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide
CID 31481407
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide
CID 109058268
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide
CID 44665683

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The IUPAC name of 4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide (CID 109059643) is 4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide is O=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of 4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The InChIKey is DRAMOQHKZWSHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-22(23-16-15-18-7-3-1-4-8-18)20-11-13-21(14-12-20)28(26,27)24-17-19-9-5-2-6-10-19/h2,5-7,9-14,24H,1,3-4,8,15-17H2,(H,23,25).
What are the key properties of 4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide has a molecular weight of 398.53 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide is sourced from PubChem (CID 109059643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).