N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide

C13H16N2O3S — CID 64766763

IUPACN-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)C2CC=CC2)c1
InChIInChI=1S/C13H16N2O3S/c14-19(17,18)12-7-3-4-10(8-12)9-15-13(16)11-5-1-2-6-11/h1-4,7-8,11H,5-6,9H2,(H,15,16)(H2,14,17,18)
InChIKeyNTYQXAPHWAYWMA-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.92
Rot. Bonds4

About N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide

N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 64766763) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide
PubChem CID64766763
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)C2CC=CC2)c1
InChIInChI=1S/C13H16N2O3S/c14-19(17,18)12-7-3-4-10(8-12)9-15-13(16)11-5-1-2-6-11/h1-4,7-8,11H,5-6,9H2,(H,15,16)(H2,14,17,18)
InChIKeyNTYQXAPHWAYWMA-UHFFFAOYSA-N
XLogP0.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.92
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-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668
N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 75437000
N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55150240
N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64767366
N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide
CID 64562054
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 79506370
2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 60859149
N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987
2-hydroxyethyl N-[(3-sulfamoylphenyl)methyl]carbamate
CID 79349048

Frequently Asked Questions

What is the IUPAC name of N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide (CID 64766763) is N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide is NS(=O)(=O)c1cccc(CNC(=O)C2CC=CC2)c1.
What is the InChIKey of N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is NTYQXAPHWAYWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-19(17,18)12-7-3-4-10(8-12)9-15-13(16)11-5-1-2-6-11/h1-4,7-8,11H,5-6,9H2,(H,15,16)(H2,14,17,18).
What are the key properties of N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide?
N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64766763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).