4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide

C20H31N3O3S — CID 109059659

IUPAC4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C20H31N3O3S/c1-23(2)16-6-14-21-20(24)18-9-11-19(12-10-18)27(25,26)22-15-13-17-7-4-3-5-8-17/h7,9-12,22H,3-6,8,13-16H2,1-2H3,(H,21,24)
InChIKeyZVWZERSDXLQANG-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.54
Rot. Bonds10

About 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide

4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 109059659) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
PubChem CID109059659
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C20H31N3O3S/c1-23(2)16-6-14-21-20(24)18-9-11-19(12-10-18)27(25,26)22-15-13-17-7-4-3-5-8-17/h7,9-12,22H,3-6,8,13-16H2,1-2H3,(H,21,24)
InChIKeyZVWZERSDXLQANG-UHFFFAOYSA-N
XLogP2.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 109063514
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 38105049
3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052414
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide
CID 109058268
4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 109059643
6-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109152689
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-phenylbenzamide
CID 109059673
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[3-(dimethylamino)propyl]pyridine-2,4-dicarboxamide
CID 109081949
N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide
CID 31481407
N-[2-(cyclohexen-1-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951577
N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664163
N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109059644

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide (CID 109059659) is 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCNC(=O)c1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is ZVWZERSDXLQANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-23(2)16-6-14-21-20(24)18-9-11-19(12-10-18)27(25,26)22-15-13-17-7-4-3-5-8-17/h7,9-12,22H,3-6,8,13-16H2,1-2H3,(H,21,24).
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide?
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 393.55 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 109059659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).