2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide

C24H33N3O5S — CID 646714

IUPAC2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide
SMILESCCCC(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H33N3O5S/c1-2-10-22(24(29)26-19-11-5-3-6-12-19)27(18-20-13-9-16-32-20)23(28)17-25-33(30,31)21-14-7-4-8-15-21/h4,7-9,13-16,19,22,25H,2-3,5-6,10-12,17-18H2,1H3,(H,26,29)
InChIKeyBENQASPECLGWTR-UHFFFAOYSA-N
MW475.61 g/mol
LogP3.20
Rot. Bonds11

About 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide

2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide (PubChem CID 646714) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide
PubChem CID646714
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide
SMILESCCCC(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H33N3O5S/c1-2-10-22(24(29)26-19-11-5-3-6-12-19)27(18-20-13-9-16-32-20)23(28)17-25-33(30,31)21-14-7-4-8-15-21/h4,7-9,13-16,19,22,25H,2-3,5-6,10-12,17-18H2,1H3,(H,26,29)
InChIKeyBENQASPECLGWTR-UHFFFAOYSA-N
XLogP3.20
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide 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]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide (CID 646714) is 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide is CCCC(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide?
The InChIKey is BENQASPECLGWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-2-10-22(24(29)26-19-11-5-3-6-12-19)27(18-20-13-9-16-32-20)23(28)17-25-33(30,31)21-14-7-4-8-15-21/h4,7-9,13-16,19,22,25H,2-3,5-6,10-12,17-18H2,1H3,(H,26,29).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide?
2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide has a molecular weight of 475.61 g/mol, XLogP of 3.20, 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]-(furan-2-ylmethyl)amino]-N-cyclohexylpentanamide is sourced from PubChem (CID 646714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).