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

C24H27N5O2S — CID 15991457

IUPACN-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)cc1
InChIInChI=1S/C24H27N5O2S/c1-16-11-13-29(14-12-16)23-24(28-21-6-4-3-5-20(21)27-23)32-15-22(31)26-19-9-7-18(8-10-19)25-17(2)30/h3-10,16H,11-15H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyLYQFPSVRAQCCSU-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.56
Rot. Bonds6

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

N-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide (PubChem CID 15991457) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide
PubChem CID15991457
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)cc1
InChIInChI=1S/C24H27N5O2S/c1-16-11-13-29(14-12-16)23-24(28-21-6-4-3-5-20(21)27-23)32-15-22(31)26-19-9-7-18(8-10-19)25-17(2)30/h3-10,16H,11-15H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyLYQFPSVRAQCCSU-UHFFFAOYSA-N
XLogP4.56
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-{2-[(3-Methylquinoxalin-2-yl)sulfanyl]acetyl}-1-phenylurea
CID 35502062
4-{[(2-Isopropyl-4-quinazolinyl)sulfanyl]acetyl}-3,4-dihydro-2(1H)-quinoxalinone
CID 1442861
2-({2-[4-(4-Methylpyridin-2-yl)piperazin-1-yl]-2-oxoethyl}thio)-3-piperidin-1-ylquinoxaline
CID 3244198
N-(3-ethylphenyl)-2-((3-(piperidin-1-yl)quinoxalin-2-yl)thio)acetamide
CID 15988512
N-(4-Butylphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991419
N-(3-Methylphenyl)-2-{[3-(4-methylpiperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991424
N-(4-Butylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991436
N~1~-(2-ethyl-6-methylphenyl)-2-[(3-morpholino-2-quinoxalinyl)sulfanyl]acetamide
CID 15991458
N-(3-Methylphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 16956475
N-(4-Ethylphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332532
N-[4-(Propan-2-YL)phenyl]-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332533
N-(2,3-Dimethylphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332534

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide (CID 15991457) is N-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide?
The InChIKey is LYQFPSVRAQCCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-16-11-13-29(14-12-16)23-24(28-21-6-4-3-5-20(21)27-23)32-15-22(31)26-19-9-7-18(8-10-19)25-17(2)30/h3-10,16H,11-15H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of N-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide?
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide has a molecular weight of 449.58 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide is sourced from PubChem (CID 15991457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).