N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide

C19H14F3N3O2S — CID 89053407

IUPACN-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide
SMILESC=CSc1nc2c(C(F)(F)F)cccc2c(=O)n1NC(=O)Cc1ccccc1
InChIInChI=1S/C19H14F3N3O2S/c1-2-28-18-23-16-13(9-6-10-14(16)19(20,21)22)17(27)25(18)24-15(26)11-12-7-4-3-5-8-12/h2-10H,1,11H2,(H,24,26)
InChIKeyHALSIHFIQNCSFV-UHFFFAOYSA-N
MW405.40 g/mol
LogP3.96
Rot. Bonds5

About N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide

N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide (PubChem CID 89053407) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide
PubChem CID89053407
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC NameN-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide
SMILESC=CSc1nc2c(C(F)(F)F)cccc2c(=O)n1NC(=O)Cc1ccccc1
InChIInChI=1S/C19H14F3N3O2S/c1-2-28-18-23-16-13(9-6-10-14(16)19(20,21)22)17(27)25(18)24-15(26)11-12-7-4-3-5-8-12/h2-10H,1,11H2,(H,24,26)
InChIKeyHALSIHFIQNCSFV-UHFFFAOYSA-N
XLogP3.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide (CID 89053407) is N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide is C=CSc1nc2c(C(F)(F)F)cccc2c(=O)n1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide?
The InChIKey is HALSIHFIQNCSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c1-2-28-18-23-16-13(9-6-10-14(16)19(20,21)22)17(27)25(18)24-15(26)11-12-7-4-3-5-8-12/h2-10H,1,11H2,(H,24,26).
What are the key properties of N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide?
N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide has a molecular weight of 405.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethenylsulfanyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 89053407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).