2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide

C19H16F3N3O6S — CID 150692601

IUPAC2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide
SMILESCCS(=O)(=O)c1ccc(OC)cc1C(=O)Nn1cnc2ccc(OC(F)(F)F)cc2c1=O
InChIInChI=1S/C19H16F3N3O6S/c1-3-32(28,29)16-7-5-11(30-2)8-14(16)17(26)24-25-10-23-15-6-4-12(31-19(20,21)22)9-13(15)18(25)27/h4-10H,3H2,1-2H3,(H,24,26)
InChIKeyJKERIBFWEWGYIK-UHFFFAOYSA-N
MW471.41 g/mol
LogP2.48
Rot. Bonds6

About 2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide

2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide (PubChem CID 150692601) has the molecular formula C19H16F3N3O6S and a molecular weight of 471.41 g/mol. Its IUPAC name is 2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide
PubChem CID150692601
Molecular FormulaC19H16F3N3O6S
Molecular Weight471.41 g/mol
Exact Mass471.07
IUPAC Name2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide
SMILESCCS(=O)(=O)c1ccc(OC)cc1C(=O)Nn1cnc2ccc(OC(F)(F)F)cc2c1=O
InChIInChI=1S/C19H16F3N3O6S/c1-3-32(28,29)16-7-5-11(30-2)8-14(16)17(26)24-25-10-23-15-6-4-12(31-19(20,21)22)9-13(15)18(25)27/h4-10H,3H2,1-2H3,(H,24,26)
InChIKeyJKERIBFWEWGYIK-UHFFFAOYSA-N
XLogP2.48
TPSA116.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide with MolForge

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Related Compounds

US10005739, Example 200
CID 91754680
US10005739, Example 237
CID 118042726
US10005739, Example 229
CID 118042968
US10005739, Example 175
CID 118043035
US10005739, Example 235
CID 122505071
US10005739, Example 363
CID 122505196
3-[(5-Bromo-2-ethylsulfonylphenyl)methyl]-6-(trifluoromethoxy)quinazolin-4-one
CID 118043065
N-[6-methoxy-4-oxo-2-(3,3,3-trifluoropropylsulfanyl)quinazolin-3-yl]-2-phenylacetamide
CID 70875431
N-[4-oxo-2-[[3-(trifluoromethoxy)phenyl]methylsulfanyl]quinazolin-3-yl]butanamide
CID 70875472
3-[2-Fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-6-(trifluoromethoxy)quinazolin-4-one
CID 71510755
6-(Difluoromethoxy)-3-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]quinazolin-4-one
CID 71510894
4-Ethylsulfonyl-3-[[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]amino]benzonitrile
CID 118042840

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide?
The IUPAC name of 2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide (CID 150692601) is 2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide.
What is the SMILES notation for 2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide?
The canonical SMILES for 2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide is CCS(=O)(=O)c1ccc(OC)cc1C(=O)Nn1cnc2ccc(OC(F)(F)F)cc2c1=O.
What is the InChIKey of 2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide?
The InChIKey is JKERIBFWEWGYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O6S/c1-3-32(28,29)16-7-5-11(30-2)8-14(16)17(26)24-25-10-23-15-6-4-12(31-19(20,21)22)9-13(15)18(25)27/h4-10H,3H2,1-2H3,(H,24,26).
What are the key properties of 2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide?
2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide has a molecular weight of 471.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-5-methoxy-N-[4-oxo-6-(trifluoromethoxy)quinazolin-3-yl]benzamide is sourced from PubChem (CID 150692601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).