2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C25H22N6O3S — CID 2025838

IUPAC2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESC[C@@H](NC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12)c1ccccc1
InChIInChI=1S/C25H22N6O3S/c1-15(16-7-3-2-4-8-16)28-25(32)21-22-24(30-20-10-6-5-9-19(20)29-22)31(23(21)26)17-11-13-18(14-12-17)35(27,33)34/h2-15H,26H2,1H3,(H,28,32)(H2,27,33,34)/t15-/m1/s1
InChIKeyFLMAHPYFDLZVFD-OAHLLOKOSA-N
MW486.56 g/mol
LogP3.29
Rot. Bonds5

About 2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 2025838) has the molecular formula C25H22N6O3S and a molecular weight of 486.56 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID2025838
Molecular FormulaC25H22N6O3S
Molecular Weight486.56 g/mol
Exact Mass486.15
IUPAC Name2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESC[C@@H](NC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12)c1ccccc1
InChIInChI=1S/C25H22N6O3S/c1-15(16-7-3-2-4-8-16)28-25(32)21-22-24(30-20-10-6-5-9-19(20)29-22)31(23(21)26)17-11-13-18(14-12-17)35(27,33)34/h2-15H,26H2,1H3,(H,28,32)(H2,27,33,34)/t15-/m1/s1
InChIKeyFLMAHPYFDLZVFD-OAHLLOKOSA-N
XLogP3.29
TPSA145.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[(4-fluorophenyl)methyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2019421
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CID 3386844
2-amino-1-(4-butan-2-ylphenyl)-N-propylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 16957072
2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide
CID 2322043
2-amino-1-(3-methylphenyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
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1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623
2-amino-1-(3-chlorophenyl)-N-(6-methylheptan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3914627
2-amino-1-[4-[(2R)-butan-2-yl]phenyl]-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2004818
4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446305
4-(phenylsulfamoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446308
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
(Z)-2-cyano-3-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 126246449

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 2025838) is 2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is C[C@@H](NC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12)c1ccccc1.
What is the InChIKey of 2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is FLMAHPYFDLZVFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H22N6O3S/c1-15(16-7-3-2-4-8-16)28-25(32)21-22-24(30-20-10-6-5-9-19(20)29-22)31(23(21)26)17-11-13-18(14-12-17)35(27,33)34/h2-15H,26H2,1H3,(H,28,32)(H2,27,33,34)/t15-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 486.56 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 2025838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).