N-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C19H16F3N3O2S2 — CID 993257

IUPACN-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1CNC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H16F3N3O2S2/c1-27-14-6-3-2-5-12(14)10-23-17(26)11-29-18-24-13(15-7-4-8-28-15)9-16(25-18)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)
InChIKeyTZAUCUAWTPLPHJ-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.64
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 993257) has the molecular formula C19H16F3N3O2S2 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID993257
Molecular FormulaC19H16F3N3O2S2
Molecular Weight439.48 g/mol
Exact Mass439.06
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1CNC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H16F3N3O2S2/c1-27-14-6-3-2-5-12(14)10-23-17(26)11-29-18-24-13(15-7-4-8-28-15)9-16(25-18)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)
InChIKeyTZAUCUAWTPLPHJ-UHFFFAOYSA-N
XLogP4.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 993257) is N-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is COc1ccccc1CNC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is TZAUCUAWTPLPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S2/c1-27-14-6-3-2-5-12(14)10-23-17(26)11-29-18-24-13(15-7-4-8-28-15)9-16(25-18)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 439.48 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 993257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).