N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide

C16H22N2O4S — CID 25469750

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H22N2O4S/c1-22-15-8-7-13(23(17,20)21)11-14(15)16(19)18-10-9-12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyLVEBGWDFQZUQIA-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.96
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide

N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide (PubChem CID 25469750) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide
PubChem CID25469750
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H22N2O4S/c1-22-15-8-7-13(23(17,20)21)11-14(15)16(19)18-10-9-12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyLVEBGWDFQZUQIA-UHFFFAOYSA-N
XLogP1.96
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.96
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

N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 9162988
N-(2-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115687261
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 40975736
5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide
CID 17352908
2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
CID 3075862
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55604780
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206869
2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487552

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide (CID 25469750) is N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is LVEBGWDFQZUQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-22-15-8-7-13(23(17,20)21)11-14(15)16(19)18-10-9-12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 338.43 g/mol, XLogP of 1.96, 6 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]-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 25469750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).