N-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide

C22H24N4O2S — CID 15991418

IUPACN-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)cc1
InChIInChI=1S/C22H24N4O2S/c1-28-17-11-9-16(10-12-17)23-20(27)15-29-22-21(26-13-5-2-6-14-26)24-18-7-3-4-8-19(18)25-22/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,23,27)
InChIKeyIBHQZMZHCUUJGN-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.36
Rot. Bonds6

About N-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide

N-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 15991418) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID15991418
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)cc1
InChIInChI=1S/C22H24N4O2S/c1-28-17-11-9-16(10-12-17)23-20(27)15-29-22-21(26-13-5-2-6-14-26)24-18-7-3-4-8-19(18)25-22/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,23,27)
InChIKeyIBHQZMZHCUUJGN-UHFFFAOYSA-N
XLogP4.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-5H-pyrido(3',2':5,6)(1,4)thiazino(2,3-b)quinoxaline
CID 339701
N-(4-(N-(3-((4-Methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)acetamide
CID 1241530
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
3-(4-methoxyphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56680410
4-N-[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56680419
N-cyclohexyl-6-methoxy-3-methylsulfonylquinoxalin-2-amine
CID 118726530
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
CID 4878685
N-(2-Ethoxyphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991426
N-(4-Ethoxyphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991435
N-(2,4-Dimethoxyphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991440
N-(2-Methoxy-5-methylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991441
N-(5-Chloro-2-methoxyphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991454

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (CID 15991418) is N-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is IBHQZMZHCUUJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-28-17-11-9-16(10-12-17)23-20(27)15-29-22-21(26-13-5-2-6-14-26)24-18-7-3-4-8-19(18)25-22/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,23,27).
What are the key properties of N-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
N-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 408.53 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 15991418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).