2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

C23H18F3N3O2S — CID 23409763

IUPAC2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)n1C(C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H18F3N3O2S/c1-13(20(30)28-18-11-7-6-10-17(18)23(24,25)26)29-14(2)27-21-16(22(29)31)12-19(32-21)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,28,30)
InChIKeyWQQQPAOIWBNBNT-UHFFFAOYSA-N
MW457.48 g/mol
LogP5.65
Rot. Bonds4

About 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 23409763) has the molecular formula C23H18F3N3O2S and a molecular weight of 457.48 g/mol. Its IUPAC name is 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID23409763
Molecular FormulaC23H18F3N3O2S
Molecular Weight457.48 g/mol
Exact Mass457.11
IUPAC Name2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)n1C(C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H18F3N3O2S/c1-13(20(30)28-18-11-7-6-10-17(18)23(24,25)26)29-14(2)27-21-16(22(29)31)12-19(32-21)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,28,30)
InChIKeyWQQQPAOIWBNBNT-UHFFFAOYSA-N
XLogP5.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 23409821
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 23409888
butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate
CID 20998011
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
CID 23410675
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 44639176
(2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7730268
2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 28692091
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40776195
2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
CID 1228645
N-(2,4-dimethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409130
N-(2-ethoxyphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 44638739
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
CID 23411280

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 23409763) is 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is Cc1nc2sc(-c3ccccc3)cc2c(=O)n1C(C)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WQQQPAOIWBNBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2S/c1-13(20(30)28-18-11-7-6-10-17(18)23(24,25)26)29-14(2)27-21-16(22(29)31)12-19(32-21)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,28,30).
What are the key properties of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 457.48 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 23409763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).