6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one

C19H20N2O3S — CID 78296067

IUPAC6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one
SMILESCc1ccc(C(=O)CSC2NC(=O)C(c3ccccc3)C(O)N2)cc1
InChIInChI=1S/C19H20N2O3S/c1-12-7-9-13(10-8-12)15(22)11-25-19-20-17(23)16(18(24)21-19)14-5-3-2-4-6-14/h2-10,16-17,19-20,23H,11H2,1H3,(H,21,24)
InChIKeyRARSFFSBHZIONF-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.02
Rot. Bonds5

About 6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one

6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one (PubChem CID 78296067) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one
PubChem CID78296067
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one
SMILESCc1ccc(C(=O)CSC2NC(=O)C(c3ccccc3)C(O)N2)cc1
InChIInChI=1S/C19H20N2O3S/c1-12-7-9-13(10-8-12)15(22)11-25-19-20-17(23)16(18(24)21-19)14-5-3-2-4-6-14/h2-10,16-17,19-20,23H,11H2,1H3,(H,21,24)
InChIKeyRARSFFSBHZIONF-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one?
The IUPAC name of 6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one (CID 78296067) is 6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one.
What is the SMILES notation for 6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one?
The canonical SMILES for 6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one is Cc1ccc(C(=O)CSC2NC(=O)C(c3ccccc3)C(O)N2)cc1.
What is the InChIKey of 6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one?
The InChIKey is RARSFFSBHZIONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-12-7-9-13(10-8-12)15(22)11-25-19-20-17(23)16(18(24)21-19)14-5-3-2-4-6-14/h2-10,16-17,19-20,23H,11H2,1H3,(H,21,24).
What are the key properties of 6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one?
6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one has a molecular weight of 356.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one is sourced from PubChem (CID 78296067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).