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

C23H25N5O2S — CID 15991455

IUPACN-(4-acetamidophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)cc1
InChIInChI=1S/C23H25N5O2S/c1-16(29)24-17-9-11-18(12-10-17)25-21(30)15-31-23-22(28-13-5-2-6-14-28)26-19-7-3-4-8-20(19)27-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,24,29)(H,25,30)
InChIKeyBLWRKHHEGQWZFW-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.31
Rot. Bonds6

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

N-(4-acetamidophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 15991455) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID15991455
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-(4-acetamidophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)cc1
InChIInChI=1S/C23H25N5O2S/c1-16(29)24-17-9-11-18(12-10-17)25-21(30)15-31-23-22(28-13-5-2-6-14-28)26-19-7-3-4-8-20(19)27-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,24,29)(H,25,30)
InChIKeyBLWRKHHEGQWZFW-UHFFFAOYSA-N
XLogP4.31
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-Benzenesulfonylamino-quinoxalin-2-ylamino)-phenyl]-acetamide
CID 1400928
3-{2-[(3-Methylquinoxalin-2-yl)sulfanyl]acetyl}-1-phenylurea
CID 35502062
N-[4-({[3-(dibutylamino)-2-quinoxalinyl]amino}sulfonyl)phenyl]acetamide
CID 2297789
2-({2-[4-(4-Methylpyridin-2-yl)piperazin-1-yl]-2-oxoethyl}thio)-3-piperidin-1-ylquinoxaline
CID 3244198
4-[2-(1-Propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 3331758
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
N-(3-Methylphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 16956475

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (CID 15991455) is N-(4-acetamidophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is BLWRKHHEGQWZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-16(29)24-17-9-11-18(12-10-17)25-21(30)15-31-23-22(28-13-5-2-6-14-28)26-19-7-3-4-8-20(19)27-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,24,29)(H,25,30).
What are the key properties of N-(4-acetamidophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
N-(4-acetamidophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 435.55 g/mol, XLogP of 4.31, 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-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 15991455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).