2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide

C18H17N3O2S — CID 2979013

IUPAC2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1
InChIInChI=1S/C18H17N3O2S/c1-12-6-5-7-13(10-12)19-16(22)11-24-18-20-15-9-4-3-8-14(15)17(23)21(18)2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyJMTREWREMVTXTO-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.97
Rot. Bonds4

About 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 2979013) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID2979013
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1
InChIInChI=1S/C18H17N3O2S/c1-12-6-5-7-13(10-12)19-16(22)11-24-18-20-15-9-4-3-8-14(15)17(23)21(18)2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyJMTREWREMVTXTO-UHFFFAOYSA-N
XLogP2.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide (CID 2979013) is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1.
What is the InChIKey of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is JMTREWREMVTXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-6-5-7-13(10-12)19-16(22)11-24-18-20-15-9-4-3-8-14(15)17(23)21(18)2/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2979013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).