5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

C24H25BrN2O5S — CID 98295079

About 5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (PubChem CID 98295079) has the molecular formula C24H25BrN2O5S and a molecular weight of 533.44 g/mol. Its IUPAC name is 5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
• PubChem CID: 98295079
• Molecular Formula: C24H25BrN2O5S
• Molecular Weight: 533.44 g/mol
• Exact Mass: 532.07
• IUPAC Name: 5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
• SMILES: COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)N2CCCC2)cc1
• InChI: InChI=1S/C24H25BrN2O5S/c1-31-19-8-4-17(5-9-19)21(27-14-2-3-15-27)16-26-24(28)22-12-13-23(32-22)33(29,30)20-10-6-18(25)7-11-20/h4-13,21H,2-3,14-16H2,1H3,(H,26,28)/t21-/m0/s1
• InChIKey: MKZYZEDYUMEYRL-NRFANRHFSA-N
• XLogP: 4.45
• TPSA: 88.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.44
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?

The IUPAC name of 5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (CID 98295079) is 5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.

What is the SMILES notation for 5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?

The canonical SMILES for 5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)N2CCCC2)cc1.

What is the InChIKey of 5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?

The InChIKey is MKZYZEDYUMEYRL-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25BrN2O5S/c1-31-19-8-4-17(5-9-19)21(27-14-2-3-15-27)16-26-24(28)22-12-13-23(32-22)33(29,30)20-10-6-18(25)7-11-20/h4-13,21H,2-3,14-16H2,1H3,(H,26,28)/t21-/m0/s1.

What are the key properties of 5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?

5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide has a molecular weight of 533.44 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 98295079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).