N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide

C30H24N4O4S — CID 987567

About N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide

N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide (PubChem CID 987567) has the molecular formula C30H24N4O4S and a molecular weight of 536.61 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide
• PubChem CID: 987567
• Molecular Formula: C30H24N4O4S
• Molecular Weight: 536.61 g/mol
• Exact Mass: 536.15
• IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)c2c(NC(=O)c3ccco3)n([C@@H](C)c3ccccc3)c3nc4ccccc4nc23)cc1
• InChI: InChI=1S/C30H24N4O4S/c1-19-14-16-22(17-15-19)39(36,37)27-26-28(32-24-12-7-6-11-23(24)31-26)34(20(2)21-9-4-3-5-10-21)29(27)33-30(35)25-13-8-18-38-25/h3-18,20H,1-2H3,(H,33,35)/t20-/m0/s1
• InChIKey: GVMOHJREDFIKGE-FQEVSTJZSA-N
• XLogP: 6.18
• TPSA: 107.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.61
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide?

The IUPAC name of N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide (CID 987567) is N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide is Cc1ccc(S(=O)(=O)c2c(NC(=O)c3ccco3)n([C@@H](C)c3ccccc3)c3nc4ccccc4nc23)cc1.

What is the InChIKey of N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide?

The InChIKey is GVMOHJREDFIKGE-FQEVSTJZSA-N. The full InChI is InChI=1S/C30H24N4O4S/c1-19-14-16-22(17-15-19)39(36,37)27-26-28(32-24-12-7-6-11-23(24)31-26)34(20(2)21-9-4-3-5-10-21)29(27)33-30(35)25-13-8-18-38-25/h3-18,20H,1-2H3,(H,33,35)/t20-/m0/s1.

What are the key properties of N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide?

N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide has a molecular weight of 536.61 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 987567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).