2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide

C15H12ClN3O2S — CID 7803603

IUPAC2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O
InChIInChI=1S/C15H12ClN3O2S/c1-17-13(20)7-19-8-18-11-6-12(22-14(11)15(19)21)9-2-4-10(16)5-3-9/h2-6,8H,7H2,1H3,(H,17,20)
InChIKeyXLMDSSARKYIJEX-UHFFFAOYSA-N
MW333.80 g/mol
LogP2.52
Rot. Bonds3

About 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide

2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide (PubChem CID 7803603) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide
PubChem CID7803603
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O
InChIInChI=1S/C15H12ClN3O2S/c1-17-13(20)7-19-8-18-11-6-12(22-14(11)15(19)21)9-2-4-10(16)5-3-9/h2-6,8H,7H2,1H3,(H,17,20)
InChIKeyXLMDSSARKYIJEX-UHFFFAOYSA-N
XLogP2.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide
CID 8626032
methyl 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 17403488
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8626048
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide
CID 8626062
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7803606
N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide
CID 67360653
6-(4-chlorophenyl)-3-[2-[4-(methylaminomethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 59239866
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629730
N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 51582557
N-(4-bromophenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55412333
2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7636682
N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 25479631

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide (CID 7803603) is 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide is CNC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O.
What is the InChIKey of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide?
The InChIKey is XLMDSSARKYIJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-17-13(20)7-19-8-18-11-6-12(22-14(11)15(19)21)9-2-4-10(16)5-3-9/h2-6,8H,7H2,1H3,(H,17,20).
What are the key properties of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide?
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide has a molecular weight of 333.80 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 7803603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).