N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide

C25H28N2O3S — CID 1435805

About N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide

N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 1435805) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
• PubChem CID: 1435805
• Molecular Formula: C25H28N2O3S
• Molecular Weight: 436.58 g/mol
• Exact Mass: 436.18
• IUPAC Name: N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
• SMILES: Cc1ccc(CN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1
• InChI: InChI=1S/C25H28N2O3S/c1-18-11-13-19(14-12-18)17-27(25(29)22-10-6-16-31-22)23(21-9-5-15-30-21)24(28)26-20-7-3-2-4-8-20/h5-6,9-16,20,23H,2-4,7-8,17H2,1H3,(H,26,28)/t23-/m0/s1
• InChIKey: ZDNUPSBUPFZRAO-QHCPKHFHSA-N
• XLogP: 5.48
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.58
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide?

The IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide (CID 1435805) is N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide?

The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide is Cc1ccc(CN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1.

What is the InChIKey of N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide?

The InChIKey is ZDNUPSBUPFZRAO-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-18-11-13-19(14-12-18)17-27(25(29)22-10-6-16-31-22)23(21-9-5-15-30-21)24(28)26-20-7-3-2-4-8-20/h5-6,9-16,20,23H,2-4,7-8,17H2,1H3,(H,26,28)/t23-/m0/s1.

What are the key properties of N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide?

N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 1435805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).