N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

C25H28N2O3S — CID 3196960

IUPACN-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCCc1ccc(C(C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1
InChIInChI=1S/C25H28N2O3S/c1-2-18-11-13-19(14-12-18)23(24(28)26-20-7-3-4-8-20)27(17-21-9-6-16-31-21)25(29)22-10-5-15-30-22/h5-6,9-16,20,23H,2-4,7-8,17H2,1H3,(H,26,28)
InChIKeyIBRCRYAEBPBNPH-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.35
Rot. Bonds8

About N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (PubChem CID 3196960) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
PubChem CID3196960
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCCc1ccc(C(C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1
InChIInChI=1S/C25H28N2O3S/c1-2-18-11-13-19(14-12-18)23(24(28)26-20-7-3-4-8-20)27(17-21-9-6-16-31-21)25(29)22-10-5-15-30-22/h5-6,9-16,20,23H,2-4,7-8,17H2,1H3,(H,26,28)
InChIKeyIBRCRYAEBPBNPH-UHFFFAOYSA-N
XLogP5.35
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 1471472
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3196697
N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196954
N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211786
N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide
CID 3196958
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 1441797
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 7145267
N-cyclopentyl-2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202874
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 5096296
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 7145165
N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide
CID 3202875
N-benzyl-N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]furan-2-carboxamide
CID 3196449

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (CID 3196960) is N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is CCc1ccc(C(C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The InChIKey is IBRCRYAEBPBNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-2-18-11-13-19(14-12-18)23(24(28)26-20-7-3-4-8-20)27(17-21-9-6-16-31-21)25(29)22-10-5-15-30-22/h5-6,9-16,20,23H,2-4,7-8,17H2,1H3,(H,26,28).
What are the key properties of N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3196960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).