N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide

C14H18N2O3S — CID 64766850

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C2CC=CC2)c1C
InChIInChI=1S/C14H18N2O3S/c1-9-7-12(20(15,18)19)8-13(10(9)2)16-14(17)11-5-3-4-6-11/h3-4,7-8,11H,5-6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYEUYKWUOXKGPOP-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.86
Rot. Bonds3

About N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide

N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide (PubChem CID 64766850) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
PubChem CID64766850
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C2CC=CC2)c1C
InChIInChI=1S/C14H18N2O3S/c1-9-7-12(20(15,18)19)8-13(10(9)2)16-14(17)11-5-3-4-6-11/h3-4,7-8,11H,5-6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYEUYKWUOXKGPOP-UHFFFAOYSA-N
XLogP1.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.86
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-(2,3-dimethyl-5-sulfamoylphenyl)-5-methyloxolane-3-carboxamide
CID 114827102
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 60651450
tert-butyl 4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9257484
(2S,3S)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propan-2-yloxolane-3-carboxamide
CID 125139107
N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766677
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide
CID 78914140
N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide
CID 43134141
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 42925906
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55559120
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide (CID 64766850) is N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)C2CC=CC2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is YEUYKWUOXKGPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-7-12(20(15,18)19)8-13(10(9)2)16-14(17)11-5-3-4-6-11/h3-4,7-8,11H,5-6H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64766850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).