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

C16H12FN3O3S — CID 8594709

IUPACN-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cn2cnc3sccc3c2=O)c(F)c1
InChIInChI=1S/C16H12FN3O3S/c1-9(21)19-10-2-3-11(13(17)6-10)14(22)7-20-8-18-15-12(16(20)23)4-5-24-15/h2-6,8H,7H2,1H3,(H,19,21)
InChIKeyNWRFXWZEIFPDGU-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.44
Rot. Bonds4

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

N-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide (PubChem CID 8594709) has the molecular formula C16H12FN3O3S and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
PubChem CID8594709
Molecular FormulaC16H12FN3O3S
Molecular Weight345.36 g/mol
Exact Mass345.06
IUPAC NameN-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cn2cnc3sccc3c2=O)c(F)c1
InChIInChI=1S/C16H12FN3O3S/c1-9(21)19-10-2-3-11(13(17)6-10)14(22)7-20-8-18-15-12(16(20)23)4-5-24-15/h2-6,8H,7H2,1H3,(H,19,21)
InChIKeyNWRFXWZEIFPDGU-UHFFFAOYSA-N
XLogP2.44
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8594583
N-[2-oxo-4-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]chromen-7-yl]acetamide
CID 46818905
N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17425297
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594353
N-[(2,6-difluorophenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 75489789
3-[2-(2,4-difluorophenyl)-2-oxoethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 17423371
3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8594292
N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083982
N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 8594423
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 146131718

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide (CID 8594709) is N-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)Cn2cnc3sccc3c2=O)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide?
The InChIKey is NWRFXWZEIFPDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S/c1-9(21)19-10-2-3-11(13(17)6-10)14(22)7-20-8-18-15-12(16(20)23)4-5-24-15/h2-6,8H,7H2,1H3,(H,19,21).
What are the key properties of N-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide?
N-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide has a molecular weight of 345.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide is sourced from PubChem (CID 8594709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).