N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide

C30H27N5O6S — CID 57448571

IUPACN-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)cc(OC)c1
InChIInChI=1S/C30H27N5O6S/c1-39-22-10-6-8-19(14-22)30(36)32-20-9-7-11-25(17-20)42(37,38)35-29-28(33-26-12-4-5-13-27(26)34-29)31-21-15-23(40-2)18-24(16-21)41-3/h4-18H,1-3H3,(H,31,33)(H,32,36)(H,34,35)
InChIKeySEQBPRKIGZPDMY-UHFFFAOYSA-N
MW585.64 g/mol
LogP5.45
Rot. Bonds10

About N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide

N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide (PubChem CID 57448571) has the molecular formula C30H27N5O6S and a molecular weight of 585.64 g/mol. Its IUPAC name is N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide
PubChem CID57448571
Molecular FormulaC30H27N5O6S
Molecular Weight585.64 g/mol
Exact Mass585.17
IUPAC NameN-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)cc(OC)c1
InChIInChI=1S/C30H27N5O6S/c1-39-22-10-6-8-19(14-22)30(36)32-20-9-7-11-25(17-20)42(37,38)35-29-28(33-26-12-4-5-13-27(26)34-29)31-21-15-23(40-2)18-24(16-21)41-3/h4-18H,1-3H3,(H,31,33)(H,32,36)(H,34,35)
InChIKeySEQBPRKIGZPDMY-UHFFFAOYSA-N
XLogP5.45
TPSA140.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.64
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-(3-methoxyphenyl)propanamide
CID 57448579
(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(methylamino)propanamide
CID 59249193
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
1-amino-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 57448487
(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide
CID 57448471
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-methylpropylamino)acetamide
CID 59272561
(2R)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 66617453
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 66617454
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-[2-(prop-2-enylamino)ethylamino]acetamide
CID 143443028
1-(cyclopropanecarbonyl)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]azetidine-3-carboxamide
CID 57448509

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide (CID 57448571) is N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)cc(OC)c1.
What is the InChIKey of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide?
The InChIKey is SEQBPRKIGZPDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O6S/c1-39-22-10-6-8-19(14-22)30(36)32-20-9-7-11-25(17-20)42(37,38)35-29-28(33-26-12-4-5-13-27(26)34-29)31-21-15-23(40-2)18-24(16-21)41-3/h4-18H,1-3H3,(H,31,33)(H,32,36)(H,34,35).
What are the key properties of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide?
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide has a molecular weight of 585.64 g/mol, XLogP of 5.45, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 57448571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).