N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C19H19N3O2S — CID 1071914

IUPACN-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1C
InChIInChI=1S/C19H19N3O2S/c1-12-7-6-10-15(13(12)2)20-17(23)11-25-19-21-16-9-5-4-8-14(16)18(24)22(19)3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyKRLLMLGTTQWXBP-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.28
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 1071914) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID1071914
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1C
InChIInChI=1S/C19H19N3O2S/c1-12-7-6-10-15(13(12)2)20-17(23)11-25-19-21-16-9-5-4-8-14(16)18(24)22(19)3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyKRLLMLGTTQWXBP-UHFFFAOYSA-N
XLogP3.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 1071914) is N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide is Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is KRLLMLGTTQWXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-7-6-10-15(13(12)2)20-17(23)11-25-19-21-16-9-5-4-8-14(16)18(24)22(19)3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 353.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1071914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).