2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide

C13H17N3O3S — CID 60728386

IUPAC2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide
SMILESC1CC(C=C1)CC(=O)NC2=CC(=CC=C2)NS(=O)(=O)N
InChIInChI=1S/C13H17N3O3S/c14-20(18,19)16-12-7-3-6-11(9-12)15-13(17)8-10-4-1-2-5-10/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,15,17)(H2,14,18,19)
InChIKeyKTOIEUNIUMEQEM-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.80
Rot. Bonds5

About 2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide

2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide (PubChem CID 60728386) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide
PubChem CID60728386
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide
SMILESC1CC(C=C1)CC(=O)NC2=CC(=CC=C2)NS(=O)(=O)N
InChIInChI=1S/C13H17N3O3S/c14-20(18,19)16-12-7-3-6-11(9-12)15-13(17)8-10-4-1-2-5-10/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,15,17)(H2,14,18,19)
InChIKeyKTOIEUNIUMEQEM-UHFFFAOYSA-N
XLogP0.80
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity470

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide (CID 60728386) is 2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide is C1CC(C=C1)CC(=O)NC2=CC(=CC=C2)NS(=O)(=O)N.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide?
The InChIKey is KTOIEUNIUMEQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c14-20(18,19)16-12-7-3-6-11(9-12)15-13(17)8-10-4-1-2-5-10/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,15,17)(H2,14,18,19).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide?
2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide has a molecular weight of 295.36 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide is sourced from PubChem (CID 60728386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).