2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide

C25H25ClN6O4S — CID 56599306

IUPAC2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide
SMILESCOc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1
InChIInChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)
InChIKeyQINPEPAQOBZPOF-UHFFFAOYSA-N
MW541.03 g/mol
LogP4.51
Rot. Bonds8

About 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide

2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide (PubChem CID 56599306) has the molecular formula C25H25ClN6O4S and a molecular weight of 541.03 g/mol. Its IUPAC name is 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide
PubChem CID56599306
Molecular FormulaC25H25ClN6O4S
Molecular Weight541.03 g/mol
Exact Mass540.13
IUPAC Name2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide
SMILESCOc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1
InChIInChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)
InChIKeyQINPEPAQOBZPOF-UHFFFAOYSA-N
XLogP4.51
TPSA148.33 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.03
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide with MolForge

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Related Compounds

4-chloro-N-{3-[(3-methoxyphenyl)amino]-6-methylquinoxalin-2-yl}benzenesulfonamide
CID 4271420
4-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1327266
N-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1317866
N-{3-[(5-Chloro-2-methoxyphenyl)amino]-6-methoxyquinoxalin-2-YL}-4-methylbenzene-1-sulfonamide
CID 4013941
N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide
CID 118724128
2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide
CID 118724129
4-fluoro-N-[3-(3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1627218
4-chloro-N-{3-[(3-fluoro-4-methylphenyl)amino]-6-methoxyquinoxalin-2-yl}benzenesulfonamide
CID 3921545
2-chloro-N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 16045609
N-[3-[2-chloro-5-(difluoromethoxy)anilino]quinoxalin-2-yl]-3-nitrobenzenesulfonamide
CID 25027940
5-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 25100847
3-chloro-N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 56601797

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide (CID 56599306) is 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide is COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1.
What is the InChIKey of 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide?
The InChIKey is QINPEPAQOBZPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32).
What are the key properties of 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide?
2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide has a molecular weight of 541.03 g/mol, XLogP of 4.51, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 56599306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).