2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide

C24H20FN3O2S — CID 46484530

IUPAC2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCc1ccc2nc(SC(C(=O)Nc3ccc(F)cc3)c3ccccc3)n(C)c(=O)c2c1
InChIInChI=1S/C24H20FN3O2S/c1-15-8-13-20-19(14-15)23(30)28(2)24(27-20)31-21(16-6-4-3-5-7-16)22(29)26-18-11-9-17(25)10-12-18/h3-14,21H,1-2H3,(H,26,29)
InChIKeyBSLRKDLQCLHYJY-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.85
Rot. Bonds5

About 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide

2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 46484530) has the molecular formula C24H20FN3O2S and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID46484530
Molecular FormulaC24H20FN3O2S
Molecular Weight433.51 g/mol
Exact Mass433.13
IUPAC Name2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCc1ccc2nc(SC(C(=O)Nc3ccc(F)cc3)c3ccccc3)n(C)c(=O)c2c1
InChIInChI=1S/C24H20FN3O2S/c1-15-8-13-20-19(14-15)23(30)28(2)24(27-20)31-21(16-6-4-3-5-7-16)22(29)26-18-11-9-17(25)10-12-18/h3-14,21H,1-2H3,(H,26,29)
InChIKeyBSLRKDLQCLHYJY-UHFFFAOYSA-N
XLogP4.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 3998130
N-(4-fluorophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18078083
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 55752339
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-fluorophenyl)-3-methylbutanamide
CID 86997528
(2R)-N-(4-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-2-phenylacetamide
CID 2124500
N-(4-fluorophenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 4802905
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide
CID 23743129
(2R)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 2082114
N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 55752307
(2R)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 2505071
(2S)-N-(4-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 2505068
4-(6-fluoro-3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide
CID 142437463

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide (CID 46484530) is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide is Cc1ccc2nc(SC(C(=O)Nc3ccc(F)cc3)c3ccccc3)n(C)c(=O)c2c1.
What is the InChIKey of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is BSLRKDLQCLHYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2S/c1-15-8-13-20-19(14-15)23(30)28(2)24(27-20)31-21(16-6-4-3-5-7-16)22(29)26-18-11-9-17(25)10-12-18/h3-14,21H,1-2H3,(H,26,29).
What are the key properties of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide?
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 433.51 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 46484530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).