N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide

C24H24N2O4S — CID 3196611

IUPACN-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C24H24N2O4S/c1-16(27)17-10-12-19(13-11-17)26(24(29)20-8-4-14-30-20)22(21-9-5-15-31-21)23(28)25-18-6-2-3-7-18/h4-5,8-15,18,22H,2-3,6-7H2,1H3,(H,25,28)
InChIKeyFDNCJEPSEDYOFE-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.99
Rot. Bonds7

About N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide

N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide (PubChem CID 3196611) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
PubChem CID3196611
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C24H24N2O4S/c1-16(27)17-10-12-19(13-11-17)26(24(29)20-8-4-14-30-20)22(21-9-5-15-31-21)23(28)25-18-6-2-3-7-18/h4-5,8-15,18,22H,2-3,6-7H2,1H3,(H,25,28)
InChIKeyFDNCJEPSEDYOFE-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

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Related Compounds

Furan-2-carboxylic acid [3-methyl-1-(2-thiophen-2-yl-ethyl)-piperidin-4-yl]-phenyl-amide
CID 13653720
N-[(1Z)-3-[(2-methoxyphenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1591814
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
N-(4-phenylthiophen-2-yl)furan-2-carboxamide
CID 699965
N-{4-[(phenylthio)methyl]phenyl}-2-furamide
CID 975641
N-[(1Z)-3-[(4-methoxyphenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1597340
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
Cambridge id 5874744
CID 5344329
N-(2-furanylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-thiophenecarboxamide
CID 666219
N-2-furoyl-N-(4-methylphenyl)phenylalaninamide
CID 2955621
Furan-2-carboxylic acid (2-methoxy-phenyl)-[3-methyl-1-(2-thiophen-2-yl-ethyl)-piperidin-4-yl]-amide
CID 13653772
Furan-2-carboxylic acid [cyclopentylcarbamoyl-(4-dimethylamino-phenyl)-methyl]-(3-methoxy-phenyl)-amide
CID 646867

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide (CID 3196611) is N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide is CC(=O)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide?
The InChIKey is FDNCJEPSEDYOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-16(27)17-10-12-19(13-11-17)26(24(29)20-8-4-14-30-20)22(21-9-5-15-31-21)23(28)25-18-6-2-3-7-18/h4-5,8-15,18,22H,2-3,6-7H2,1H3,(H,25,28).
What are the key properties of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide?
N-(4-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-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 3196611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).