2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide

C25H20FN3O4S — CID 55751110

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)c(F)c1
InChIInChI=1S/C25H20FN3O4S/c1-15(30)17-8-11-22(19(26)12-17)34-14-24(32)27-18-9-6-16(7-10-18)25(33)29-13-23(31)28-20-4-2-3-5-21(20)29/h2-12H,13-14H2,1H3,(H,27,32)(H,28,31)
InChIKeyNAUVXIJRLRCDSN-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.36
Rot. Bonds6

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide (PubChem CID 55751110) has the molecular formula C25H20FN3O4S and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
PubChem CID55751110
Molecular FormulaC25H20FN3O4S
Molecular Weight477.52 g/mol
Exact Mass477.12
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)c(F)c1
InChIInChI=1S/C25H20FN3O4S/c1-15(30)17-8-11-22(19(26)12-17)34-14-24(32)27-18-9-6-16(7-10-18)25(33)29-13-23(31)28-20-4-2-3-5-21(20)29/h2-12H,13-14H2,1H3,(H,27,32)(H,28,31)
InChIKeyNAUVXIJRLRCDSN-UHFFFAOYSA-N
XLogP4.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide with MolForge

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Related Compounds

4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 55350333
3-acetamido-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751098
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
CID 55750843
2-(2,5-dichlorophenoxy)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
CID 55751125
4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 30713300
3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750751
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide
CID 34184863
4-chloro-N-[4-oxo-4-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)anilino]butyl]benzamide
CID 55750719
2-(2,4-dichlorophenoxy)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide
CID 55750853
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34192175
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 35830804

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide (CID 55751110) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide is CC(=O)c1ccc(SCC(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide?
The InChIKey is NAUVXIJRLRCDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4S/c1-15(30)17-8-11-22(19(26)12-17)34-14-24(32)27-18-9-6-16(7-10-18)25(33)29-13-23(31)28-20-4-2-3-5-21(20)29/h2-12H,13-14H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide has a molecular weight of 477.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 55751110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).