N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide

C25H23N3O2S — CID 46357608

IUPACN-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(C)cc1
InChIInChI=1S/C25H23N3O2S/c1-17-11-13-18(14-12-17)15-22-25(28-20-8-4-3-7-19(20)26-22)31-16-24(29)27-21-9-5-6-10-23(21)30-2/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyCJEOUJBPBOMJRW-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.27
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide

N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide (PubChem CID 46357608) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
PubChem CID46357608
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(C)cc1
InChIInChI=1S/C25H23N3O2S/c1-17-11-13-18(14-12-17)15-22-25(28-20-8-4-3-7-19(20)26-22)31-16-24(29)27-21-9-5-6-10-23(21)30-2/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyCJEOUJBPBOMJRW-UHFFFAOYSA-N
XLogP5.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 46357720
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide
CID 46357628
2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 46357700
methyl 2-[[2-(3-benzylquinoxalin-2-yl)sulfanylacetyl]amino]benzoate
CID 46357662
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 46357656
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 22332582
N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956698
N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357625
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92893166
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide
CID 31775871
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 46503414

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide (CID 46357608) is N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide is COc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The InChIKey is CJEOUJBPBOMJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-17-11-13-18(14-12-17)15-22-25(28-20-8-4-3-7-19(20)26-22)31-16-24(29)27-21-9-5-6-10-23(21)30-2/h3-14H,15-16H2,1-2H3,(H,27,29).
What are the key properties of N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide has a molecular weight of 429.55 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide is sourced from PubChem (CID 46357608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).