N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide

C22H21N3OS2 — CID 6502058

IUPACN-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C22H21N3OS2/c1-4-22(2,3)25-21(26)14-5-6-17-18(11-14)24-20(16-8-10-28-13-16)19(23-17)15-7-9-27-12-15/h5-13H,4H2,1-3H3,(H,25,26)
InChIKeyUUTBWPYFWSWXRR-UHFFFAOYSA-N
MW407.56 g/mol
LogP6.01
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide

N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide (PubChem CID 6502058) has the molecular formula C22H21N3OS2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide
PubChem CID6502058
Molecular FormulaC22H21N3OS2
Molecular Weight407.56 g/mol
Exact Mass407.11
IUPAC NameN-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C22H21N3OS2/c1-4-22(2,3)25-21(26)14-5-6-17-18(11-14)24-20(16-8-10-28-13-16)19(23-17)15-7-9-27-12-15/h5-13H,4H2,1-3H3,(H,25,26)
InChIKeyUUTBWPYFWSWXRR-UHFFFAOYSA-N
XLogP6.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 47119834
N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55892217
N-(1,3-benzodioxol-5-ylmethyl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide
CID 6502069
N-ethyl-2,3-diphenylquinoxaline-6-carboxamide
CID 5261756
2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 60539230
2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide
CID 129254430
2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662
2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 140870096
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
N-(2-methylbutan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide
CID 112791136
2,3-di(thiophen-3-yl)benzo[g]quinoxaline
CID 10291206

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide (CID 6502058) is N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide is CCC(C)(C)NC(=O)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide?
The InChIKey is UUTBWPYFWSWXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS2/c1-4-22(2,3)25-21(26)14-5-6-17-18(11-14)24-20(16-8-10-28-13-16)19(23-17)15-7-9-27-12-15/h5-13H,4H2,1-3H3,(H,25,26).
What are the key properties of N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide?
N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2,3-di(thiophen-3-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 6502058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).