N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide

C20H18N4O4S2 — CID 1402946

IUPACN-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C20H18N4O4S2/c1-27-13-9-10-16(17(12-13)28-2)23-19-20(22-15-7-4-3-6-14(15)21-19)24-30(25,26)18-8-5-11-29-18/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyKVXSDRBIPHXGIE-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.25
Rot. Bonds7

About N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide

N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 1402946) has the molecular formula C20H18N4O4S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID1402946
Molecular FormulaC20H18N4O4S2
Molecular Weight442.52 g/mol
Exact Mass442.08
IUPAC NameN-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C20H18N4O4S2/c1-27-13-9-10-16(17(12-13)28-2)23-19-20(22-15-7-4-3-6-14(15)21-19)24-30(25,26)18-8-5-11-29-18/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyKVXSDRBIPHXGIE-UHFFFAOYSA-N
XLogP4.25
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-((2,4-dimethoxyphenyl)amino)quinoxalin-2-yl)-4-methylbenzenesulfonamide
CID 1327287
N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309400
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309402
N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310450
N-(2,4-Dimethoxyphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332553
N-[4-({3-[(2,4-dimethoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]acetamide
CID 1968433
4-methoxy-N-(3-((2-methoxyphenyl)amino)quinoxalin-2-yl)benzenesulfonamide
CID 1397710
N-[3-[2-(4-methoxyphenyl)ethylamino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1399086
3-(2-Thienyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine
CID 367575
N-(4-Methoxyphenyl)-3-(2-thienyl)-2-quinoxalinamine
CID 371170
N-(3-((2,4-dimethoxyphenyl)amino)quinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 1383241
1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzenesulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 2405668

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 1402946) is N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c(OC)c1.
What is the InChIKey of N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is KVXSDRBIPHXGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S2/c1-27-13-9-10-16(17(12-13)28-2)23-19-20(22-15-7-4-3-6-14(15)21-19)24-30(25,26)18-8-5-11-29-18/h3-12H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 442.52 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 1402946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).