N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide

C24H20ClN3O2S — CID 23606567

IUPACN-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C24H20ClN3O2S/c1-2-30-19-12-13-21-20(14-19)23(16-6-4-3-5-7-16)28-24(27-21)31-15-22(29)26-18-10-8-17(25)9-11-18/h3-14H,2,15H2,1H3,(H,26,29)
InChIKeyJMRJNVHTANNUJQ-UHFFFAOYSA-N
MW449.96 g/mol
LogP6.08
Rot. Bonds7

About N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide

N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide (PubChem CID 23606567) has the molecular formula C24H20ClN3O2S and a molecular weight of 449.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide
PubChem CID23606567
Molecular FormulaC24H20ClN3O2S
Molecular Weight449.96 g/mol
Exact Mass449.10
IUPAC NameN-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C24H20ClN3O2S/c1-2-30-19-12-13-21-20(14-19)23(16-6-4-3-5-7-16)28-24(27-21)31-15-22(29)26-18-10-8-17(25)9-11-18/h3-14H,2,15H2,1H3,(H,26,29)
InChIKeyJMRJNVHTANNUJQ-UHFFFAOYSA-N
XLogP6.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.96
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-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

Related Compounds

N-(4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 3657089
N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
CID 3359750
N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide
CID 5142311
2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 4112498
2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 46934535
2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate
CID 40598517
2-[[4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 2157004
3-[[2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetyl]amino]propanoate
CID 7424882
N-(4-chlorophenyl)-2-(3-ethoxyphenoxy)acetamide
CID 112977797
N-[4-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]phenyl]propanamide
CID 3186706
2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 2949616
N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide
CID 166331146

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide (CID 23606567) is N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide is CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)nc(-c3ccccc3)c2c1.
What is the InChIKey of N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is JMRJNVHTANNUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2S/c1-2-30-19-12-13-21-20(14-19)23(16-6-4-3-5-7-16)28-24(27-21)31-15-22(29)26-18-10-8-17(25)9-11-18/h3-14H,2,15H2,1H3,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide?
N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 449.96 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 23606567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).