N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide

C24H24N2O4S — CID 3196612

IUPACN-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
SMILESCC(=O)c1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)c1
InChIInChI=1S/C24H24N2O4S/c1-16(27)17-7-4-10-19(15-17)26(24(29)20-11-5-13-30-20)22(21-12-6-14-31-21)23(28)25-18-8-2-3-9-18/h4-7,10-15,18,22H,2-3,8-9H2,1H3,(H,25,28)
InChIKeyUCYYQXYGQZWAAK-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.99
Rot. Bonds7

About N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide

N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide (PubChem CID 3196612) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
PubChem CID3196612
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
SMILESCC(=O)c1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)c1
InChIInChI=1S/C24H24N2O4S/c1-16(27)17-7-4-10-19(15-17)26(24(29)20-11-5-13-30-20)22(21-12-6-14-31-21)23(28)25-18-8-2-3-9-18/h4-7,10-15,18,22H,2-3,8-9H2,1H3,(H,25,28)
InChIKeyUCYYQXYGQZWAAK-UHFFFAOYSA-N
XLogP4.99
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide 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 N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide (CID 3196612) is N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide is CC(=O)c1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)c1.
What is the InChIKey of N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide?
The InChIKey is UCYYQXYGQZWAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-16(27)17-7-4-10-19(15-17)26(24(29)20-11-5-13-30-20)22(21-12-6-14-31-21)23(28)25-18-8-2-3-9-18/h4-7,10-15,18,22H,2-3,8-9H2,1H3,(H,25,28).
What are the key properties of N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide?
N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 3196612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).