4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one

C18H18N2O4S — CID 16864015

IUPAC4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCCS(=O)(=O)c1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H18N2O4S/c1-2-25(23,24)14-9-7-13(8-10-14)11-18(22)20-12-17(21)19-15-5-3-4-6-16(15)20/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeySYSQPWJEJXXZCZ-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.01
Rot. Bonds4

About 4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 16864015) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID16864015
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCCS(=O)(=O)c1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H18N2O4S/c1-2-25(23,24)14-9-7-13(8-10-14)11-18(22)20-12-17(21)19-15-5-3-4-6-16(15)20/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeySYSQPWJEJXXZCZ-UHFFFAOYSA-N
XLogP2.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one (CID 16864015) is 4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one is CCS(=O)(=O)c1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is SYSQPWJEJXXZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-2-25(23,24)14-9-7-13(8-10-14)11-18(22)20-12-17(21)19-15-5-3-4-6-16(15)20/h3-10H,2,11-12H2,1H3,(H,19,21).
What are the key properties of 4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 358.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 16864015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).