N-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C15H11F2N3O2S — CID 3648839

IUPACN-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3c(F)cccc3F)cnc2s1
InChIInChI=1S/C15H11F2N3O2S/c1-8-5-9-14(23-8)18-7-20(15(9)22)6-12(21)19-13-10(16)3-2-4-11(13)17/h2-5,7H,6H2,1H3,(H,19,21)
InChIKeyLJYNHACNXDSFFP-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.68
Rot. Bonds3

About N-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 3648839) has the molecular formula C15H11F2N3O2S and a molecular weight of 335.34 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID3648839
Molecular FormulaC15H11F2N3O2S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC NameN-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3c(F)cccc3F)cnc2s1
InChIInChI=1S/C15H11F2N3O2S/c1-8-5-9-14(23-8)18-7-20(15(9)22)6-12(21)19-13-10(16)3-2-4-11(13)17/h2-5,7H,6H2,1H3,(H,19,21)
InChIKeyLJYNHACNXDSFFP-UHFFFAOYSA-N
XLogP2.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 6460856
2-[(3,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-methylphenyl)acetamide
CID 6491564
2-(4-Oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 16279645
N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
CID 733723
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-(2-phenylethyl)acetamide
CID 733158
5-methyl-N-(2-methylphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 735015
N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
CID 1178172
2-[(1,4-Dihydro-5,6-Dimethyl-4-Oxothieno[2,3-d]Pyrimidin-2-ylThio]-N-(2-Fluorophenyl)-Acetamide
CID 1460286
N-(2-fluorophenyl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 2570299
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2994137
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 3236477
6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4(3H)-one
CID 3236799

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 3648839) is N-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1cc2c(=O)n(CC(=O)Nc3c(F)cccc3F)cnc2s1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is LJYNHACNXDSFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S/c1-8-5-9-14(23-8)18-7-20(15(9)22)6-12(21)19-13-10(16)3-2-4-11(13)17/h2-5,7H,6H2,1H3,(H,19,21).
What are the key properties of N-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 335.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 3648839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).