N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide

C18H11F6N3OS — CID 60545390

IUPACN-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide
SMILESO=C(CSc1nc(C(F)(F)F)nc2ccccc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H11F6N3OS/c19-17(20,21)11-6-2-4-8-13(11)25-14(28)9-29-15-10-5-1-3-7-12(10)26-16(27-15)18(22,23)24/h1-8H,9H2,(H,25,28)
InChIKeyJRTRTNFEYUWVDS-UHFFFAOYSA-N
MW431.36 g/mol
LogP5.40
Rot. Bonds4

About N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide

N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 60545390) has the molecular formula C18H11F6N3OS and a molecular weight of 431.36 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide
PubChem CID60545390
Molecular FormulaC18H11F6N3OS
Molecular Weight431.36 g/mol
Exact Mass431.05
IUPAC NameN-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide
SMILESO=C(CSc1nc(C(F)(F)F)nc2ccccc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H11F6N3OS/c19-17(20,21)11-6-2-4-8-13(11)25-14(28)9-29-15-10-5-1-3-7-12(10)26-16(27-15)18(22,23)24/h1-8H,9H2,(H,25,28)
InChIKeyJRTRTNFEYUWVDS-UHFFFAOYSA-N
XLogP5.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16507539
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 1442417
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3150750
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3374268
N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide
CID 30144590
2-[[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3387678
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 1442402
3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropane-1,2-diol
CID 21003265
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24630975
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
2-[[4-methyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 19727349

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide (CID 60545390) is N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide is O=C(CSc1nc(C(F)(F)F)nc2ccccc12)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is JRTRTNFEYUWVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3OS/c19-17(20,21)11-6-2-4-8-13(11)25-14(28)9-29-15-10-5-1-3-7-12(10)26-16(27-15)18(22,23)24/h1-8H,9H2,(H,25,28).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide?
N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 431.36 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 60545390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).