2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide

C19H16F3N3O4S2 — CID 168951006

IUPAC2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide
SMILESCc1nc(SCC(=O)c2ccc(CNC(=O)CO)s2)c2cc(OC(F)(F)F)ccc2n1
InChIInChI=1S/C19H16F3N3O4S2/c1-10-24-14-4-2-11(29-19(20,21)22)6-13(14)18(25-10)30-9-15(27)16-5-3-12(31-16)7-23-17(28)8-26/h2-6,26H,7-9H2,1H3,(H,23,28)
InChIKeyJMKGGQZCCOYWPE-UHFFFAOYSA-N
MW471.48 g/mol
LogP3.48
Rot. Bonds8

About 2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide

2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide (PubChem CID 168951006) has the molecular formula C19H16F3N3O4S2 and a molecular weight of 471.48 g/mol. Its IUPAC name is 2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide
PubChem CID168951006
Molecular FormulaC19H16F3N3O4S2
Molecular Weight471.48 g/mol
Exact Mass471.05
IUPAC Name2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide
SMILESCc1nc(SCC(=O)c2ccc(CNC(=O)CO)s2)c2cc(OC(F)(F)F)ccc2n1
InChIInChI=1S/C19H16F3N3O4S2/c1-10-24-14-4-2-11(29-19(20,21)22)6-13(14)18(25-10)30-9-15(27)16-5-3-12(31-16)7-23-17(28)8-26/h2-6,26H,7-9H2,1H3,(H,23,28)
InChIKeyJMKGGQZCCOYWPE-UHFFFAOYSA-N
XLogP3.48
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide (CID 168951006) is 2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide is Cc1nc(SCC(=O)c2ccc(CNC(=O)CO)s2)c2cc(OC(F)(F)F)ccc2n1.
What is the InChIKey of 2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is JMKGGQZCCOYWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4S2/c1-10-24-14-4-2-11(29-19(20,21)22)6-13(14)18(25-10)30-9-15(27)16-5-3-12(31-16)7-23-17(28)8-26/h2-6,26H,7-9H2,1H3,(H,23,28).
What are the key properties of 2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
2-hydroxy-N-[[5-[2-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 471.48 g/mol, XLogP of 3.48, 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-[2-methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 168951006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).