N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide

C24H28N4OS — CID 22332601

IUPACN-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)c1C
InChIInChI=1S/C24H28N4OS/c1-16-11-13-28(14-12-16)23-24(27-21-9-5-4-8-20(21)26-23)30-15-22(29)25-19-10-6-7-17(2)18(19)3/h4-10,16H,11-15H2,1-3H3,(H,25,29)
InChIKeyUMIMDSVSGLDZLN-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.21
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide

N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide (PubChem CID 22332601) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide
PubChem CID22332601
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC NameN-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)c1C
InChIInChI=1S/C24H28N4OS/c1-16-11-13-28(14-12-16)23-24(27-21-9-5-4-8-20(21)26-23)30-15-22(29)25-19-10-6-7-17(2)18(19)3/h4-10,16H,11-15H2,1-3H3,(H,25,29)
InChIKeyUMIMDSVSGLDZLN-UHFFFAOYSA-N
XLogP5.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylethanone
CID 22332666
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 22332582
N-(2,3-dimethylphenyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CID 3166991
N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46672702
N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332533
N-(2,3-dimethylphenyl)-2-[[2-[(3R)-3-methylpiperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 93072272
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone
CID 22332615
N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide
CID 92651661
N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide
CID 92651660
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147
N-(2,3-dimethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532833
2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 46324868

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide (CID 22332601) is N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide is Cc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide?
The InChIKey is UMIMDSVSGLDZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-16-11-13-28(14-12-16)23-24(27-21-9-5-4-8-20(21)26-23)30-15-22(29)25-19-10-6-7-17(2)18(19)3/h4-10,16H,11-15H2,1-3H3,(H,25,29).
What are the key properties of N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide has a molecular weight of 420.58 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide is sourced from PubChem (CID 22332601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).