[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate

C15H20N2O5S — CID 24981036

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate
SMILESCC(OC(=O)C1CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H20N2O5S/c1-10(22-15(19)11-4-2-3-5-11)14(18)17-12-6-8-13(9-7-12)23(16,20)21/h6-11H,2-5H2,1H3,(H,17,18)(H2,16,20,21)
InChIKeyYMLOSJDBLIWHPC-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.39
Rot. Bonds5

About [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate (PubChem CID 24981036) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate
PubChem CID24981036
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate
SMILESCC(OC(=O)C1CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H20N2O5S/c1-10(22-15(19)11-4-2-3-5-11)14(18)17-12-6-8-13(9-7-12)23(16,20)21/h6-11H,2-5H2,1H3,(H,17,18)(H2,16,20,21)
InChIKeyYMLOSJDBLIWHPC-UHFFFAOYSA-N
XLogP1.39
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate (CID 24981036) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate is CC(OC(=O)C1CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate?
The InChIKey is YMLOSJDBLIWHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-10(22-15(19)11-4-2-3-5-11)14(18)17-12-6-8-13(9-7-12)23(16,20)21/h6-11H,2-5H2,1H3,(H,17,18)(H2,16,20,21).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate has a molecular weight of 340.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclopentanecarboxylate is sourced from PubChem (CID 24981036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).