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

C25H23N3O3S — CID 71683140

IUPACN-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-31-20-13-11-19(12-14-20)26-23(29)17-32-25-27-22-10-6-5-9-21(22)24(30)28(25)16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,26,29)
InChIKeyXGCOVQLNWJEHEV-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.38
Rot. Bonds8

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

N-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 71683140) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID71683140
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-31-20-13-11-19(12-14-20)26-23(29)17-32-25-27-22-10-6-5-9-21(22)24(30)28(25)16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,26,29)
InChIKeyXGCOVQLNWJEHEV-UHFFFAOYSA-N
XLogP4.38
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide (CID 71683140) is N-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is XGCOVQLNWJEHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-31-20-13-11-19(12-14-20)26-23(29)17-32-25-27-22-10-6-5-9-21(22)24(30)28(25)16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,26,29).
What are the key properties of N-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
N-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 445.54 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 71683140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).