2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide

C21H20F3N3O4S2 — CID 168950870

IUPAC2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide
SMILESCOc1ccc2nc(C(F)(F)F)nc(SCC(=O)c3ccc(CNC(=O)C(C)(C)O)s3)c2c1
InChIInChI=1S/C21H20F3N3O4S2/c1-20(2,30)19(29)25-9-12-5-7-16(33-12)15(28)10-32-17-13-8-11(31-3)4-6-14(13)26-18(27-17)21(22,23)24/h4-8,30H,9-10H2,1-3H3,(H,25,29)
InChIKeyHZHZLIIHLGLHEA-UHFFFAOYSA-N
MW499.54 g/mol
LogP4.08
Rot. Bonds8

About 2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide

2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide (PubChem CID 168950870) has the molecular formula C21H20F3N3O4S2 and a molecular weight of 499.54 g/mol. Its IUPAC name is 2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide
PubChem CID168950870
Molecular FormulaC21H20F3N3O4S2
Molecular Weight499.54 g/mol
Exact Mass499.08
IUPAC Name2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide
SMILESCOc1ccc2nc(C(F)(F)F)nc(SCC(=O)c3ccc(CNC(=O)C(C)(C)O)s3)c2c1
InChIInChI=1S/C21H20F3N3O4S2/c1-20(2,30)19(29)25-9-12-5-7-16(33-12)15(28)10-32-17-13-8-11(31-3)4-6-14(13)26-18(27-17)21(22,23)24/h4-8,30H,9-10H2,1-3H3,(H,25,29)
InChIKeyHZHZLIIHLGLHEA-UHFFFAOYSA-N
XLogP4.08
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of 2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide (CID 168950870) is 2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide is COc1ccc2nc(C(F)(F)F)nc(SCC(=O)c3ccc(CNC(=O)C(C)(C)O)s3)c2c1.
What is the InChIKey of 2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide?
The InChIKey is HZHZLIIHLGLHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4S2/c1-20(2,30)19(29)25-9-12-5-7-16(33-12)15(28)10-32-17-13-8-11(31-3)4-6-14(13)26-18(27-17)21(22,23)24/h4-8,30H,9-10H2,1-3H3,(H,25,29).
What are the key properties of 2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide?
2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide has a molecular weight of 499.54 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[5-[2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 168950870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).