2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide

C17H15N3O2S — CID 855776

IUPAC2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide
SMILESCn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C17H15N3O2S/c1-20-16(22)13-9-5-6-10-14(13)19-17(20)23-11-15(21)18-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyKPELHUIWVYZRKU-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.66
Rot. Bonds4

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

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 855776) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide
PubChem CID855776
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide
SMILESCn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C17H15N3O2S/c1-20-16(22)13-9-5-6-10-14(13)19-17(20)23-11-15(21)18-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyKPELHUIWVYZRKU-UHFFFAOYSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.66
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-phenylacetamide?
The IUPAC name of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide (CID 855776) is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide is Cn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is KPELHUIWVYZRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-20-16(22)13-9-5-6-10-14(13)19-17(20)23-11-15(21)18-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide?
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 325.39 g/mol, XLogP of 2.66, 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-phenylacetamide is sourced from PubChem (CID 855776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).