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

C23H26N4OS — CID 15988512

IUPACN-(3-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)c1
InChIInChI=1S/C23H26N4OS/c1-2-17-9-8-10-18(15-17)24-21(28)16-29-23-22(27-13-6-3-7-14-27)25-19-11-4-5-12-20(19)26-23/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,24,28)
InChIKeyWICZXVZYQKRYMY-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.91
Rot. Bonds6

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

N-(3-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 15988512) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID15988512
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC NameN-(3-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)c1
InChIInChI=1S/C23H26N4OS/c1-2-17-9-8-10-18(15-17)24-21(28)16-29-23-22(27-13-6-3-7-14-27)25-19-11-4-5-12-20(19)26-23/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,24,28)
InChIKeyWICZXVZYQKRYMY-UHFFFAOYSA-N
XLogP4.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.91
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
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
N-(1-phenylethyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide
CID 16024849
N-[(4-Methylphenyl)methyl]-2-({3-[(4-methylphenyl)methyl]quinoxalin-2-YL}sulfanyl)acetamide
CID 16030423
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-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (CID 15988512) is N-(3-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is CCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is WICZXVZYQKRYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-2-17-9-8-10-18(15-17)24-21(28)16-29-23-22(27-13-6-3-7-14-27)25-19-11-4-5-12-20(19)26-23/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,24,28).
What are the key properties of N-(3-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
N-(3-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 406.56 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 15988512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).