N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide

C22H20ClFN2O3S — CID 1469150

About N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide

N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide (PubChem CID 1469150) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
• PubChem CID: 1469150
• Molecular Formula: C22H20ClFN2O3S
• Molecular Weight: 446.93 g/mol
• Exact Mass: 446.09
• IUPAC Name: N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
• SMILES: O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C22H20ClFN2O3S/c23-16-13-15(9-10-17(16)24)26(22(28)18-7-3-11-29-18)20(19-8-4-12-30-19)21(27)25-14-5-1-2-6-14/h3-4,7-14,20H,1-2,5-6H2,(H,25,27)/t20-/m0/s1
• InChIKey: FBIMSUCQHAGCPA-FQEVSTJZSA-N
• XLogP: 5.58
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.93
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide?

The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide (CID 1469150) is N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide.

What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide?

The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide is O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccc(F)c(Cl)c1.

What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide?

The InChIKey is FBIMSUCQHAGCPA-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c23-16-13-15(9-10-17(16)24)26(22(28)18-7-3-11-29-18)20(19-8-4-12-30-19)21(27)25-14-5-1-2-6-14/h3-4,7-14,20H,1-2,5-6H2,(H,25,27)/t20-/m0/s1.

What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide?

N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide has a molecular weight of 446.93 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 1469150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).