N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C15H11F2N3O2S2 — CID 24593241

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C15H11F2N3O2S2/c16-15(17)24-11-4-2-1-3-10(11)19-12(21)7-20-8-18-13-9(14(20)22)5-6-23-13/h1-6,8,15H,7H2,(H,19,21)
InChIKeyWUKVMFJEHFLMAL-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 24593241) has the molecular formula C15H11F2N3O2S2 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID24593241
Molecular FormulaC15H11F2N3O2S2
Molecular Weight367.40 g/mol
Exact Mass367.03
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C15H11F2N3O2S2/c16-15(17)24-11-4-2-1-3-10(11)19-12(21)7-20-8-18-13-9(14(20)22)5-6-23-13/h1-6,8,15H,7H2,(H,19,21)
InChIKeyWUKVMFJEHFLMAL-UHFFFAOYSA-N
XLogP3.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594263
N-[2-(difluoromethylsulfanyl)phenyl]-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 24592677
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 55482148
N-(2,5-dichlorophenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17444773
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 4808995
N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 146131718
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)acetamide
CID 138051400
N-[(2,6-difluorophenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 75489789
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 134038906
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 24593241) is N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sccc2c1=O)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is WUKVMFJEHFLMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S2/c16-15(17)24-11-4-2-1-3-10(11)19-12(21)7-20-8-18-13-9(14(20)22)5-6-23-13/h1-6,8,15H,7H2,(H,19,21).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 367.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 24593241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).