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

C23H24N2O3S — CID 3196629

IUPACN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C23H24N2O3S/c1-16-10-12-18(13-11-16)25(23(27)19-8-4-14-28-19)21(20-9-5-15-29-20)22(26)24-17-6-2-3-7-17/h4-5,8-15,17,21H,2-3,6-7H2,1H3,(H,24,26)
InChIKeyDGUHYQUQRNUSTK-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.10
Rot. Bonds6

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

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide (PubChem CID 3196629) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide
PubChem CID3196629
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C23H24N2O3S/c1-16-10-12-18(13-11-16)25(23(27)19-8-4-14-28-19)21(20-9-5-15-29-20)22(26)24-17-6-2-3-7-17/h4-5,8-15,17,21H,2-3,6-7H2,1H3,(H,24,26)
InChIKeyDGUHYQUQRNUSTK-UHFFFAOYSA-N
XLogP5.10
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
CID 1469205
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
CID 1469204
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 1469191
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3196630
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 1441882
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 3196627
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 1469017
N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 1469150
N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 1469280
N-(2-bromophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 1469142
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methylphenyl)acetamide
CID 3216369

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide (CID 3196629) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide is Cc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide?
The InChIKey is DGUHYQUQRNUSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-16-10-12-18(13-11-16)25(23(27)19-8-4-14-28-19)21(20-9-5-15-29-20)22(26)24-17-6-2-3-7-17/h4-5,8-15,17,21H,2-3,6-7H2,1H3,(H,24,26).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3196629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).