N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C16H15N3O2S — CID 18083656

IUPACN-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2cnc3sccc3c2=O)c1
InChIInChI=1S/C16H15N3O2S/c1-10-5-11(2)7-12(6-10)18-14(20)8-19-9-17-15-13(16(19)21)3-4-22-15/h3-7,9H,8H2,1-2H3,(H,18,20)
InChIKeyXMYJSNQAUDNKKP-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.71
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 18083656) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID18083656
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2cnc3sccc3c2=O)c1
InChIInChI=1S/C16H15N3O2S/c1-10-5-11(2)7-12(6-10)18-14(20)8-19-9-17-15-13(16(19)21)3-4-22-15/h3-7,9H,8H2,1-2H3,(H,18,20)
InChIKeyXMYJSNQAUDNKKP-UHFFFAOYSA-N
XLogP2.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083982
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 146131718
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720
N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 8594423
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17425297
N-(2,5-dichlorophenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17444773
N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396068
N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 139013001
N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 155969947
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)acetamide
CID 138051400
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide
CID 166205260

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 18083656) is N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1cc(C)cc(NC(=O)Cn2cnc3sccc3c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is XMYJSNQAUDNKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-5-11(2)7-12(6-10)18-14(20)8-19-9-17-15-13(16(19)21)3-4-22-15/h3-7,9H,8H2,1-2H3,(H,18,20).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 18083656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).