2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

C20H14F3N3O2S3 — CID 2496422

IUPAC2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C20H14F3N3O2S3/c1-11-24-18-17(14(9-30-18)15-3-2-8-29-15)19(25-11)31-10-16(27)26-12-4-6-13(7-5-12)28-20(21,22)23/h2-9H,10H2,1H3,(H,26,27)
InChIKeyNULJRLPMKOHRNN-UHFFFAOYSA-N
MW481.55 g/mol
LogP6.36
Rot. Bonds6

About 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 2496422) has the molecular formula C20H14F3N3O2S3 and a molecular weight of 481.55 g/mol. Its IUPAC name is 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID2496422
Molecular FormulaC20H14F3N3O2S3
Molecular Weight481.55 g/mol
Exact Mass481.02
IUPAC Name2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C20H14F3N3O2S3/c1-11-24-18-17(14(9-30-18)15-3-2-8-29-15)19(25-11)31-10-16(27)26-12-4-6-13(7-5-12)28-20(21,22)23/h2-9H,10H2,1H3,(H,26,27)
InChIKeyNULJRLPMKOHRNN-UHFFFAOYSA-N
XLogP6.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5130921
N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 4881176
N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362656
N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2509399
N-(4-cyanophenyl)-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772987
N-[5-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 40833336
methyl 4-[[2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 2404295
2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16906658
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 42975209
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 700874
N-(3-methoxyphenyl)-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 29182613
N-(4-fluorophenyl)-2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2239077

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 2496422) is 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(-c3cccs3)csc2n1.
What is the InChIKey of 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is NULJRLPMKOHRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2S3/c1-11-24-18-17(14(9-30-18)15-3-2-8-29-15)19(25-11)31-10-16(27)26-12-4-6-13(7-5-12)28-20(21,22)23/h2-9H,10H2,1H3,(H,26,27).
What are the key properties of 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 481.55 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2496422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).