N-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C16H16F3N3O3S — CID 1157986

IUPACN-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)cc1OC
InChIInChI=1S/C16H16F3N3O3S/c1-9-6-13(16(17,18)19)22-15(20-9)26-8-14(23)21-10-4-5-11(24-2)12(7-10)25-3/h4-7H,8H2,1-3H3,(H,21,23)
InChIKeyUWKWVNBNBFGEBE-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.55
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 1157986) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID1157986
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)cc1OC
InChIInChI=1S/C16H16F3N3O3S/c1-9-6-13(16(17,18)19)22-15(20-9)26-8-14(23)21-10-4-5-11(24-2)12(7-10)25-3/h4-7H,8H2,1-3H3,(H,21,23)
InChIKeyUWKWVNBNBFGEBE-UHFFFAOYSA-N
XLogP3.55
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 1157986) is N-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is UWKWVNBNBFGEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-9-6-13(16(17,18)19)22-15(20-9)26-8-14(23)21-10-4-5-11(24-2)12(7-10)25-3/h4-7H,8H2,1-3H3,(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 387.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 1157986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).