2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C20H19F3N4O2S2 — CID 24545771

IUPAC2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1sc2ncnc(SCC(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)c2c1C
InChIInChI=1S/C20H19F3N4O2S2/c1-11-12(2)31-19-17(11)18(24-10-25-19)30-9-16(29)27(3)8-15(28)26-14-7-5-4-6-13(14)20(21,22)23/h4-7,10H,8-9H2,1-3H3,(H,26,28)
InChIKeyQBIBZVAIRBQUFP-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.52
Rot. Bonds6

About 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 24545771) has the molecular formula C20H19F3N4O2S2 and a molecular weight of 468.53 g/mol. Its IUPAC name is 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID24545771
Molecular FormulaC20H19F3N4O2S2
Molecular Weight468.53 g/mol
Exact Mass468.09
IUPAC Name2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1sc2ncnc(SCC(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)c2c1C
InChIInChI=1S/C20H19F3N4O2S2/c1-11-12(2)31-19-17(11)18(24-10-25-19)30-9-16(29)27(3)8-15(28)26-14-7-5-4-6-13(14)20(21,22)23/h4-7,10H,8-9H2,1-3H3,(H,26,28)
InChIKeyQBIBZVAIRBQUFP-UHFFFAOYSA-N
XLogP4.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 24686582
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 711233
N-(3-chloro-2-methylphenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1144559
2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 31904271
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
CID 46637408
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 40600154
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 55512532
3-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-2-methylpropanoic acid
CID 122111899
N-(2,6-dimethylphenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1144552
2-[(2-benzylsulfanylacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24981104
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
2-[methyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25163639

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 24545771) is 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1sc2ncnc(SCC(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)c2c1C.
What is the InChIKey of 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QBIBZVAIRBQUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2S2/c1-11-12(2)31-19-17(11)18(24-10-25-19)30-9-16(29)27(3)8-15(28)26-14-7-5-4-6-13(14)20(21,22)23/h4-7,10H,8-9H2,1-3H3,(H,26,28).
What are the key properties of 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 468.53 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24545771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).