N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C21H16F3N3O2S2 — CID 24515255

IUPACN-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C21H16F3N3O2S2/c1-26(9-13-4-6-14(7-5-13)21(22,23)24)17(28)10-27-12-25-19-18(20(27)29)15(11-31-19)16-3-2-8-30-16/h2-8,11-12H,9-10H2,1H3
InChIKeyRZMRUSUDVBISCU-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.86
Rot. Bonds5

About N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 24515255) has the molecular formula C21H16F3N3O2S2 and a molecular weight of 463.51 g/mol. Its IUPAC name is N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID24515255
Molecular FormulaC21H16F3N3O2S2
Molecular Weight463.51 g/mol
Exact Mass463.06
IUPAC NameN-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C21H16F3N3O2S2/c1-26(9-13-4-6-14(7-5-13)21(22,23)24)17(28)10-27-12-25-19-18(20(27)29)15(11-31-19)16-3-2-8-30-16/h2-8,11-12H,9-10H2,1H3
InChIKeyRZMRUSUDVBISCU-UHFFFAOYSA-N
XLogP4.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
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CID 17497145
N-benzyl-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide
CID 7729488
N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 43022059
N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119549909
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 40820842
2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 30327522
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 134015611
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 26067761
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pentan-3-ylacetamide
CID 24680950
3-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 39776036
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 24515255) is N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O.
What is the InChIKey of N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is RZMRUSUDVBISCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2S2/c1-26(9-13-4-6-14(7-5-13)21(22,23)24)17(28)10-27-12-25-19-18(20(27)29)15(11-31-19)16-3-2-8-30-16/h2-8,11-12H,9-10H2,1H3.
What are the key properties of N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 463.51 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 24515255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).