N-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide

C22H24N4OS — CID 16956475

IUPACN-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)c1
InChIInChI=1S/C22H24N4OS/c1-16-8-7-9-17(14-16)23-20(27)15-28-22-21(26-12-5-2-6-13-26)24-18-10-3-4-11-19(18)25-22/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,23,27)
InChIKeyADPLFXGPKNUCGV-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.66
Rot. Bonds5

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

N-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 16956475) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID16956475
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)c1
InChIInChI=1S/C22H24N4OS/c1-16-8-7-9-17(14-16)23-20(27)15-28-22-21(26-12-5-2-6-13-26)24-18-10-3-4-11-19(18)25-22/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,23,27)
InChIKeyADPLFXGPKNUCGV-UHFFFAOYSA-N
XLogP4.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-Tert-butylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 1442463
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
2-[4-(Benzylamino)quinazolin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 6616421
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-[4-(acetylamino)phenyl]-2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]thio}acetamide
CID 15991457
N~1~-(2-ethyl-6-methylphenyl)-2-[(3-morpholino-2-quinoxalinyl)sulfanyl]acetamide
CID 15991458
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-N-butylacetamide
CID 16030461
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-1-(piperidin-1-YL)ethan-1-one
CID 16030465

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (CID 16956475) is N-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is Cc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is ADPLFXGPKNUCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-16-8-7-9-17(14-16)23-20(27)15-28-22-21(26-12-5-2-6-13-26)24-18-10-3-4-11-19(18)25-22/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,23,27).
What are the key properties of N-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
N-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 392.53 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 16956475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).