4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide

C13H17N3O3S — CID 79210828

IUPAC4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C13H17N3O3S/c14-11-4-3-10(7-11)13(17)16-8-9-1-5-12(6-2-9)20(15,18)19/h1-6,10-11H,7-8,14H2,(H,16,17)(H2,15,18,19)
InChIKeyQXZXCLTWEQMYCX-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.15
Rot. Bonds4

About 4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79210828) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide
PubChem CID79210828
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C13H17N3O3S/c14-11-4-3-10(7-11)13(17)16-8-9-1-5-12(6-2-9)20(15,18)19/h1-6,10-11H,7-8,14H2,(H,16,17)(H2,15,18,19)
InChIKeyQXZXCLTWEQMYCX-UHFFFAOYSA-N
XLogP-0.15
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208078
cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
CID 40606359
(3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide
CID 97489455
(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 114422610
N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263305
4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 106417005
4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79208355
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
CID 59860935
5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide
CID 76890368

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide (CID 79210828) is 4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is QXZXCLTWEQMYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c14-11-4-3-10(7-11)13(17)16-8-9-1-5-12(6-2-9)20(15,18)19/h1-6,10-11H,7-8,14H2,(H,16,17)(H2,15,18,19).
What are the key properties of 4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 295.36 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).