4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one

C19H20N2O5S — CID 42477601

IUPAC4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H20N2O5S/c1-26-14-8-10-15(11-9-14)27(24,25)12-4-7-19(23)21-13-18(22)20-16-5-2-3-6-17(16)21/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,20,22)
InChIKeyBVHUYWLPDVLKAZ-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.23
Rot. Bonds6

About 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one

4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 42477601) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID42477601
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H20N2O5S/c1-26-14-8-10-15(11-9-14)27(24,25)12-4-7-19(23)21-13-18(22)20-16-5-2-3-6-17(16)21/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,20,22)
InChIKeyBVHUYWLPDVLKAZ-UHFFFAOYSA-N
XLogP2.23
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one (CID 42477601) is 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one is COc1ccc(S(=O)(=O)CCCC(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is BVHUYWLPDVLKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-26-14-8-10-15(11-9-14)27(24,25)12-4-7-19(23)21-13-18(22)20-16-5-2-3-6-17(16)21/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,20,22).
What are the key properties of 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one?
4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 388.45 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 42477601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).