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

C18H17N3O2S — CID 865153

IUPAC2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide
SMILESCCn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C18H17N3O2S/c1-2-21-17(23)14-10-6-7-11-15(14)20-18(21)24-12-16(22)19-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,22)
InChIKeySYSMRIBFKPELLY-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.15
Rot. Bonds5

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

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 865153) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide
PubChem CID865153
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide
SMILESCCn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C18H17N3O2S/c1-2-21-17(23)14-10-6-7-11-15(14)20-18(21)24-12-16(22)19-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,22)
InChIKeySYSMRIBFKPELLY-UHFFFAOYSA-N
XLogP3.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide (CID 865153) is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide is CCn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is SYSMRIBFKPELLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-21-17(23)14-10-6-7-11-15(14)20-18(21)24-12-16(22)19-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,22).
What are the key properties of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide?
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 339.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 865153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).