2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide

C23H31N3O5S — CID 646918

IUPAC2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1
InChIInChI=1S/C23H31N3O5S/c1-2-9-21(23(28)24-16-19-12-8-15-31-19)26(18-10-6-7-11-18)22(27)17-25-32(29,30)20-13-4-3-5-14-20/h3-5,8,12-15,18,21,25H,2,6-7,9-11,16-17H2,1H3,(H,24,28)
InChIKeyIWFFZCQQXRWIPL-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.81
Rot. Bonds11

About 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide

2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide (PubChem CID 646918) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide
PubChem CID646918
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1
InChIInChI=1S/C23H31N3O5S/c1-2-9-21(23(28)24-16-19-12-8-15-31-19)26(18-10-6-7-11-18)22(27)17-25-32(29,30)20-13-4-3-5-14-20/h3-5,8,12-15,18,21,25H,2,6-7,9-11,16-17H2,1H3,(H,24,28)
InChIKeyIWFFZCQQXRWIPL-UHFFFAOYSA-N
XLogP2.81
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide 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 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide (CID 646918) is 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide is CCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide?
The InChIKey is IWFFZCQQXRWIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-2-9-21(23(28)24-16-19-12-8-15-31-19)26(18-10-6-7-11-18)22(27)17-25-32(29,30)20-13-4-3-5-14-20/h3-5,8,12-15,18,21,25H,2,6-7,9-11,16-17H2,1H3,(H,24,28).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide?
2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide has a molecular weight of 461.58 g/mol, XLogP of 2.81, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide is sourced from PubChem (CID 646918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).