N-(2-bromophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide

C22H21BrN2O3S — CID 1469142

About N-(2-bromophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide

N-(2-bromophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide (PubChem CID 1469142) has the molecular formula C22H21BrN2O3S and a molecular weight of 473.39 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-bromophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
• PubChem CID: 1469142
• Molecular Formula: C22H21BrN2O3S
• Molecular Weight: 473.39 g/mol
• Exact Mass: 472.05
• IUPAC Name: N-(2-bromophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
• SMILES: O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccccc1Br
• InChI: InChI=1S/C22H21BrN2O3S/c23-16-9-3-4-10-17(16)25(22(27)18-11-5-13-28-18)20(19-12-6-14-29-19)21(26)24-15-7-1-2-8-15/h3-6,9-15,20H,1-2,7-8H2,(H,24,26)/t20-/m0/s1
• InChIKey: DORPECUENRNVSI-FQEVSTJZSA-N
• XLogP: 5.55
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.39
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2-bromophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide (CID 1469142) is N-(2-bromophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide.

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

The canonical SMILES for N-(2-bromophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide is O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccccc1Br.

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

The InChIKey is DORPECUENRNVSI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21BrN2O3S/c23-16-9-3-4-10-17(16)25(22(27)18-11-5-13-28-18)20(19-12-6-14-29-19)21(26)24-15-7-1-2-8-15/h3-6,9-15,20H,1-2,7-8H2,(H,24,26)/t20-/m0/s1.

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

N-(2-bromophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide has a molecular weight of 473.39 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 1469142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).