N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide

C23H21N3O4S2 — CID 30850325

IUPACN-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)cc1OC
InChIInChI=1S/C23H21N3O4S2/c1-26-22(28)21-16(12-19(32-21)14-7-5-4-6-8-14)25-23(26)31-13-20(27)24-15-9-10-17(29-2)18(11-15)30-3/h4-12H,13H2,1-3H3,(H,24,27)
InChIKeySHYSIMZIFCKAOC-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.41
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide

N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 30850325) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID30850325
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)cc1OC
InChIInChI=1S/C23H21N3O4S2/c1-26-22(28)21-16(12-19(32-21)14-7-5-4-6-8-14)25-23(26)31-13-20(27)24-15-9-10-17(29-2)18(11-15)30-3/h4-12H,13H2,1-3H3,(H,24,27)
InChIKeySHYSIMZIFCKAOC-UHFFFAOYSA-N
XLogP4.41
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chlorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 30850347
N-(3-bromophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 30850348
N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 30850344
2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 50828460
N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 45498489
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 4793899
N-(3,4-dimethoxyphenyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 16534790
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 8979950
N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 5072575
N-(3,4-dimethoxyphenyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532871
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2468053
3-methyl-2-[(2-methylphenyl)methylsulfanyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 46384815

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide (CID 30850325) is N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is SHYSIMZIFCKAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-26-22(28)21-16(12-19(32-21)14-7-5-4-6-8-14)25-23(26)31-13-20(27)24-15-9-10-17(29-2)18(11-15)30-3/h4-12H,13H2,1-3H3,(H,24,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 467.57 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 30850325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).