N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C18H15ClF3N3O2S — CID 28692105

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)nc2s1
InChIInChI=1S/C18H15ClF3N3O2S/c1-3-11-7-12-16(28-11)23-9(2)25(17(12)27)8-15(26)24-14-6-10(18(20,21)22)4-5-13(14)19/h4-7H,3,8H2,1-2H3,(H,24,26)
InChIKeyQMKIFOVUQMDSRI-UHFFFAOYSA-N
MW429.85 g/mol
LogP4.64
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 28692105) has the molecular formula C18H15ClF3N3O2S and a molecular weight of 429.85 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID28692105
Molecular FormulaC18H15ClF3N3O2S
Molecular Weight429.85 g/mol
Exact Mass429.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)nc2s1
InChIInChI=1S/C18H15ClF3N3O2S/c1-3-11-7-12-16(28-11)23-9(2)25(17(12)27)8-15(26)24-14-6-10(18(20,21)22)4-5-13(14)19/h4-7H,3,8H2,1-2H3,(H,24,26)
InChIKeyQMKIFOVUQMDSRI-UHFFFAOYSA-N
XLogP4.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.85
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 28692091
ethyl 2-[[2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 28692313
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide
CID 20893999
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
ethyl 3-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 1178924
N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409185
N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409533
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-7-(4-methylphenyl)-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906021
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 110650696
3-[[2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-methylamino]propanoic acid
CID 82032691
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 118717390
N-butyl-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylacetamide
CID 28692371

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 28692105) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCc1cc2c(=O)n(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)nc2s1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is QMKIFOVUQMDSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2S/c1-3-11-7-12-16(28-11)23-9(2)25(17(12)27)8-15(26)24-14-6-10(18(20,21)22)4-5-13(14)19/h4-7H,3,8H2,1-2H3,(H,24,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 429.85 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 28692105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).