N-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide

C22H17N5O4S — CID 663288

IUPACN-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(N)n(NC(=O)c3ccco3)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C22H17N5O4S/c1-13-8-10-14(11-9-13)32(29,30)19-18-21(25-16-6-3-2-5-15(16)24-18)27(20(19)23)26-22(28)17-7-4-12-31-17/h2-12H,23H2,1H3,(H,26,28)
InChIKeyXSWDIIRCBJZMMT-UHFFFAOYSA-N
MW447.48 g/mol
LogP3.28
Rot. Bonds4

About N-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide

N-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide (PubChem CID 663288) has the molecular formula C22H17N5O4S and a molecular weight of 447.48 g/mol. Its IUPAC name is N-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide
PubChem CID663288
Molecular FormulaC22H17N5O4S
Molecular Weight447.48 g/mol
Exact Mass447.10
IUPAC NameN-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(N)n(NC(=O)c3ccco3)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C22H17N5O4S/c1-13-8-10-14(11-9-13)32(29,30)19-18-21(25-16-6-3-2-5-15(16)24-18)27(20(19)23)26-22(28)17-7-4-12-31-17/h2-12H,23H2,1H3,(H,26,28)
InChIKeyXSWDIIRCBJZMMT-UHFFFAOYSA-N
XLogP3.28
TPSA133.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide?
The IUPAC name of N-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide (CID 663288) is N-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide is Cc1ccc(S(=O)(=O)c2c(N)n(NC(=O)c3ccco3)c3nc4ccccc4nc23)cc1.
What is the InChIKey of N-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide?
The InChIKey is XSWDIIRCBJZMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4S/c1-13-8-10-14(11-9-13)32(29,30)19-18-21(25-16-6-3-2-5-15(16)24-18)27(20(19)23)26-22(28)17-7-4-12-31-17/h2-12H,23H2,1H3,(H,26,28).
What are the key properties of N-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide?
N-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide has a molecular weight of 447.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]furan-2-carboxamide is sourced from PubChem (CID 663288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).