(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide

C27H28N6O5S — CID 57448471

IUPAC(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)[C@@H]3CCCN3)c2)cc(OC)c1
InChIInChI=1S/C27H28N6O5S/c1-37-19-13-18(14-20(16-19)38-2)29-25-26(32-23-10-4-3-9-22(23)31-25)33-39(35,36)21-8-5-7-17(15-21)30-27(34)24-11-6-12-28-24/h3-5,7-10,13-16,24,28H,6,11-12H2,1-2H3,(H,29,31)(H,30,34)(H,32,33)/t24-/m0/s1
InChIKeyVYJZABRNDNYWLU-DEOSSOPVSA-N
MW548.63 g/mol
LogP3.88
Rot. Bonds9

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

(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 57448471) has the molecular formula C27H28N6O5S and a molecular weight of 548.63 g/mol. Its IUPAC name is (2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID57448471
Molecular FormulaC27H28N6O5S
Molecular Weight548.63 g/mol
Exact Mass548.18
IUPAC Name(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)[C@@H]3CCCN3)c2)cc(OC)c1
InChIInChI=1S/C27H28N6O5S/c1-37-19-13-18(14-20(16-19)38-2)29-25-26(32-23-10-4-3-9-22(23)31-25)33-39(35,36)21-8-5-7-17(15-21)30-27(34)24-11-6-12-28-24/h3-5,7-10,13-16,24,28H,6,11-12H2,1-2H3,(H,29,31)(H,30,34)(H,32,33)/t24-/m0/s1
InChIKeyVYJZABRNDNYWLU-DEOSSOPVSA-N
XLogP3.88
TPSA143.57 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.63
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(2R)-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide
CID 57448475
1-(cyclopropanecarbonyl)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]azetidine-3-carboxamide
CID 57448509
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
1-amino-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 57448487
N-[3-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfinamoylphenyl]piperidine-2-carboxamide
CID 143442925
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide
CID 57448571
(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(methylamino)propanamide
CID 59249193
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 57448552
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-methylpyrrolidin-1-yl)acetamide
CID 57448518
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 57448504

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide (CID 57448471) is (2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)[C@@H]3CCCN3)c2)cc(OC)c1.
What is the InChIKey of (2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is VYJZABRNDNYWLU-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H28N6O5S/c1-37-19-13-18(14-20(16-19)38-2)29-25-26(32-23-10-4-3-9-22(23)31-25)33-39(35,36)21-8-5-7-17(15-21)30-27(34)24-11-6-12-28-24/h3-5,7-10,13-16,24,28H,6,11-12H2,1-2H3,(H,29,31)(H,30,34)(H,32,33)/t24-/m0/s1.
What are the key properties of (2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 548.63 g/mol, XLogP of 3.88, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 57448471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).