2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide

C24H21N3O2S — CID 1164159

IUPAC2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3C)c2c1
InChIInChI=1S/C24H21N3O2S/c1-16-8-6-7-11-20(16)25-22(28)15-30-24-19-14-18(29-2)12-13-21(19)26-23(27-24)17-9-4-3-5-10-17/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyPJLOOLMNJOPASQ-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.34
Rot. Bonds6

About 2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide

2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 1164159) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID1164159
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3C)c2c1
InChIInChI=1S/C24H21N3O2S/c1-16-8-6-7-11-20(16)25-22(28)15-30-24-19-14-18(29-2)12-13-21(19)26-23(27-24)17-9-4-3-5-10-17/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyPJLOOLMNJOPASQ-UHFFFAOYSA-N
XLogP5.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3135640
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 1155970
2-(6-methyl-2-phenylquinazolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 3135641
2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3137509
N-(2,3-dimethylphenyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CID 3166991
2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18561741
2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 3166978
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166643
N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3136408
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 40585253
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CID 43816558
N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166645

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide (CID 1164159) is 2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide is COc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3C)c2c1.
What is the InChIKey of 2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is PJLOOLMNJOPASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-16-8-6-7-11-20(16)25-22(28)15-30-24-19-14-18(29-2)12-13-21(19)26-23(27-24)17-9-4-3-5-10-17/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide?
2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 1164159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).