N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide

C24H26N2O4S — CID 1441882

About N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide

N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide (PubChem CID 1441882) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
• PubChem CID: 1441882
• Molecular Formula: C24H26N2O4S
• Molecular Weight: 438.55 g/mol
• Exact Mass: 438.16
• IUPAC Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
• SMILES: COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1
• InChI: InChI=1S/C24H26N2O4S/c1-29-19-13-11-18(12-14-19)26(24(28)20-9-5-15-30-20)22(21-10-6-16-31-21)23(27)25-17-7-3-2-4-8-17/h5-6,9-17,22H,2-4,7-8H2,1H3,(H,25,27)/t22-/m0/s1
• InChIKey: HSOWABDEKINMME-QFIPXVFZSA-N
• XLogP: 5.19
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.55
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?

The IUPAC name of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide (CID 1441882) is N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide.

What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?

The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide is COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1.

What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?

The InChIKey is HSOWABDEKINMME-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-29-19-13-11-18(12-14-19)26(24(28)20-9-5-15-30-20)22(21-10-6-16-31-21)23(27)25-17-7-3-2-4-8-17/h5-6,9-17,22H,2-4,7-8H2,1H3,(H,25,27)/t22-/m0/s1.

What are the key properties of N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?

N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 1441882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).