N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide

C23H17F2N3OS — CID 23606565

IUPACN-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide
SMILESCc1cccc2c(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(F)cc3)nc12
InChIInChI=1S/C23H17F2N3OS/c1-14-3-2-4-19-21(14)27-23(28-22(19)15-5-7-16(24)8-6-15)30-13-20(29)26-18-11-9-17(25)10-12-18/h2-12H,13H2,1H3,(H,26,29)
InChIKeyLWPWEBVHHADOCQ-UHFFFAOYSA-N
MW421.47 g/mol
LogP5.61
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide

N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide (PubChem CID 23606565) has the molecular formula C23H17F2N3OS and a molecular weight of 421.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide
PubChem CID23606565
Molecular FormulaC23H17F2N3OS
Molecular Weight421.47 g/mol
Exact Mass421.11
IUPAC NameN-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide
SMILESCc1cccc2c(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(F)cc3)nc12
InChIInChI=1S/C23H17F2N3OS/c1-14-3-2-4-19-21(14)27-23(28-22(19)15-5-7-16(24)8-6-15)30-13-20(29)26-18-11-9-17(25)10-12-18/h2-12H,13H2,1H3,(H,26,29)
InChIKeyLWPWEBVHHADOCQ-UHFFFAOYSA-N
XLogP5.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.47
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)acetamide
CID 46262558
N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
CID 3359750
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 6407198
2-[2-(4-fluorophenyl)-8-methylquinazolin-4-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 3135912
2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 7743687
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
N-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 967637
2-[[5,6-bis(4-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
CID 6418312
N-(4-ethylphenyl)-2-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 22579674
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4544119

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide (CID 23606565) is N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide is Cc1cccc2c(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(F)cc3)nc12.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide?
The InChIKey is LWPWEBVHHADOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3OS/c1-14-3-2-4-19-21(14)27-23(28-22(19)15-5-7-16(24)8-6-15)30-13-20(29)26-18-11-9-17(25)10-12-18/h2-12H,13H2,1H3,(H,26,29).
What are the key properties of N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide has a molecular weight of 421.47 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 23606565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).