N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

C21H16FN3O2S — CID 9455084

IUPACN-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c(F)c1
InChIInChI=1S/C21H16FN3O2S/c1-13-7-8-17(16(22)9-13)24-19(26)11-25-12-23-20-15(21(25)27)10-18(28-20)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,24,26)
InChIKeyBNTYGMKXIICKSP-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.21
Rot. Bonds4

About N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 9455084) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID9455084
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c(F)c1
InChIInChI=1S/C21H16FN3O2S/c1-13-7-8-17(16(22)9-13)24-19(26)11-25-12-23-20-15(21(25)27)10-18(28-20)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,24,26)
InChIKeyBNTYGMKXIICKSP-UHFFFAOYSA-N
XLogP4.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylsulfanylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24565191
N-[(2-fluorophenyl)methyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9456009
N-(1,2-oxazol-3-yl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17424882
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 4117193
ethyl 4-(4-methylphenyl)-2-[[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 44636762
N-cyclopentyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7630192
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193249
N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7886203
N-(2,4-dimethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409130
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 6864192
3-[2-(2-fluoroanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409206
N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide
CID 7630229

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 9455084) is N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1ccc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is BNTYGMKXIICKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c1-13-7-8-17(16(22)9-13)24-19(26)11-25-12-23-20-15(21(25)27)10-18(28-20)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,24,26).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 9455084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).