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

C25H26Cl2N6O4S — CID 66617370

IUPAC2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride
SMILESCCC(N)C(=O)Nc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(OC)ccc2Cl)c1.Cl
InChIInChI=1S/C25H25ClN6O4S.ClH/c1-3-19(27)25(33)28-15-7-6-8-17(13-15)37(34,35)32-24-23(29-20-9-4-5-10-21(20)30-24)31-22-14-16(36-2)11-12-18(22)26;/h4-14,19H,3,27H2,1-2H3,(H,28,33)(H,29,31)(H,30,32);1H
InChIKeyRXEHQQPOYLECBX-UHFFFAOYSA-N
MW577.49 g/mol
LogP4.93
Rot. Bonds9

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

2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride (PubChem CID 66617370) has the molecular formula C25H26Cl2N6O4S and a molecular weight of 577.49 g/mol. Its IUPAC name is 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride
PubChem CID66617370
Molecular FormulaC25H26Cl2N6O4S
Molecular Weight577.49 g/mol
Exact Mass576.11
IUPAC Name2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride
SMILESCCC(N)C(=O)Nc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(OC)ccc2Cl)c1.Cl
InChIInChI=1S/C25H25ClN6O4S.ClH/c1-3-19(27)25(33)28-15-7-6-8-17(13-15)37(34,35)32-24-23(29-20-9-4-5-10-21(20)30-24)31-22-14-16(36-2)11-12-18(22)26;/h4-14,19H,3,27H2,1-2H3,(H,28,33)(H,29,31)(H,30,32);1H
InChIKeyRXEHQQPOYLECBX-UHFFFAOYSA-N
XLogP4.93
TPSA148.33 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.49
LogP ≤ 54.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide
CID 59249211
N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-fluoroethylamino)acetamide
CID 59249132
(2R)-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide
CID 57448475
(2S)-2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylphenyl]propanamide
CID 59249126
N-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-3-(dimethylaminocarbamoyl)benzenesulfonamide
CID 57448635
N-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-3-[3-methyl-3-(methylamino)-2-oxobutyl]benzenesulfonamide
CID 58274387
(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(methylamino)propanamide
CID 59249193
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
2-(aminomethyl)-N-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-6-(methylamino)benzenesulfonamide
CID 175284947
3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 57448629
3-(3-aminopiperidine-1-carbonyl)-N-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 57448633
2-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]-4-methylanilino]-2-methylpropanamide
CID 66617433

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride (CID 66617370) is 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride is CCC(N)C(=O)Nc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(OC)ccc2Cl)c1.Cl.
What is the InChIKey of 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride?
The InChIKey is RXEHQQPOYLECBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O4S.ClH/c1-3-19(27)25(33)28-15-7-6-8-17(13-15)37(34,35)32-24-23(29-20-9-4-5-10-21(20)30-24)31-22-14-16(36-2)11-12-18(22)26;/h4-14,19H,3,27H2,1-2H3,(H,28,33)(H,29,31)(H,30,32);1H.
What are the key properties of 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride?
2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]butanamide;hydrochloride has a molecular weight of 577.49 g/mol, XLogP of 4.93, 9 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]butanamide;hydrochloride is sourced from PubChem (CID 66617370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).