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

C21H25N3O3S — CID 109059644

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C21H25N3O3S/c25-21(23-15-13-17-6-2-1-3-7-17)18-9-11-20(12-10-18)28(26,27)24-16-19-8-4-5-14-22-19/h4-6,8-12,14,24H,1-3,7,13,15-16H2,(H,23,25)
InChIKeyXXBPGAUVXGKEFJ-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.18
Rot. Bonds8

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

N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide (PubChem CID 109059644) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide
PubChem CID109059644
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C21H25N3O3S/c25-21(23-15-13-17-6-2-1-3-7-17)18-9-11-20(12-10-18)28(26,27)24-16-19-8-4-5-14-22-19/h4-6,8-12,14,24H,1-3,7,13,15-16H2,(H,23,25)
InChIKeyXXBPGAUVXGKEFJ-UHFFFAOYSA-N
XLogP3.18
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 109059643
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109052433
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 38105049
N-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109299485
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-phenylbenzamide
CID 109059673
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
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-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109059990
4-[(2-fluorophenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060757
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 31528348

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide (CID 109059644) is N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide is O=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)NCc2ccccn2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide?
The InChIKey is XXBPGAUVXGKEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-21(23-15-13-17-6-2-1-3-7-17)18-9-11-20(12-10-18)28(26,27)24-16-19-8-4-5-14-22-19/h4-6,8-12,14,24H,1-3,7,13,15-16H2,(H,23,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide has a molecular weight of 399.52 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109059644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).