2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide

C25H23N3OS — CID 46357656

IUPAC2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C25H23N3OS/c1-2-19-12-6-7-13-20(19)27-24(29)17-30-25-23(16-18-10-4-3-5-11-18)26-21-14-8-9-15-22(21)28-25/h3-15H,2,16-17H2,1H3,(H,27,29)
InChIKeyKAUWFNZQUNLECB-UHFFFAOYSA-N
MW413.55 g/mol
LogP5.51
Rot. Bonds7

About 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide

2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide (PubChem CID 46357656) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
PubChem CID46357656
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC Name2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C25H23N3OS/c1-2-19-12-6-7-13-20(19)27-24(29)17-30-25-23(16-18-10-4-3-5-11-18)26-21-14-8-9-15-22(21)28-25/h3-15H,2,16-17H2,1H3,(H,27,29)
InChIKeyKAUWFNZQUNLECB-UHFFFAOYSA-N
XLogP5.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(3-benzylquinoxalin-2-yl)sulfanylacetyl]amino]benzoate
CID 46357662
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide
CID 46357628
N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357608
2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 46357720
N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9323347
2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 46357700
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide
CID 118418598
N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357614
2-(3-benzylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 1440322
2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 46357715
N-(2-ethylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606772
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6411103

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide (CID 46357656) is 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccccc1.
What is the InChIKey of 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide?
The InChIKey is KAUWFNZQUNLECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-2-19-12-6-7-13-20(19)27-24(29)17-30-25-23(16-18-10-4-3-5-11-18)26-21-14-8-9-15-22(21)28-25/h3-15H,2,16-17H2,1H3,(H,27,29).
What are the key properties of 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide?
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide has a molecular weight of 413.55 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 46357656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).