2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide

C18H17N3O2S — CID 860223

IUPAC2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C18H17N3O2S/c19-16(22)12-24-18-20-15-9-5-4-8-14(15)17(23)21(18)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,22)
InChIKeyDSBKZOHZAQDDGK-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.22
Rot. Bonds6

About 2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide

2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 860223) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID860223
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C18H17N3O2S/c19-16(22)12-24-18-20-15-9-5-4-8-14(15)17(23)21(18)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,22)
InChIKeyDSBKZOHZAQDDGK-UHFFFAOYSA-N
XLogP2.22
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 135566764
CID 135566764
CID 616746
CID 616746
CID 135520446
CID 135520446
CID 742756
CID 742756
CID 63248
CID 63248
CID 738365
CID 738365
CID 806148
CID 806148
CID 135409719
CID 135409719
CID 145996538
CID 145996538
CID 2959700
CID 2959700
CID 135408823
CID 135408823
CID 135440318
CID 135440318

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide (CID 860223) is 2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide is NC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccc1.
What is the InChIKey of 2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is DSBKZOHZAQDDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c19-16(22)12-24-18-20-15-9-5-4-8-14(15)17(23)21(18)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,22).
What are the key properties of 2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 339.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 860223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).