2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide

C15H10Cl3N3O2S2 — CID 35772750

IUPAC2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
SMILESCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2sccc2c1=O
InChIInChI=1S/C15H10Cl3N3O2S2/c1-21-14(23)8-2-3-24-13(8)20-15(21)25-6-11(22)19-12-9(17)4-7(16)5-10(12)18/h2-5H,6H2,1H3,(H,19,22)
InChIKeyRDBBYRJWPUDATB-UHFFFAOYSA-N
MW434.76 g/mol
LogP4.69
Rot. Bonds4

About 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide

2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 35772750) has the molecular formula C15H10Cl3N3O2S2 and a molecular weight of 434.76 g/mol. Its IUPAC name is 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID35772750
Molecular FormulaC15H10Cl3N3O2S2
Molecular Weight434.76 g/mol
Exact Mass432.93
IUPAC Name2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
SMILESCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2sccc2c1=O
InChIInChI=1S/C15H10Cl3N3O2S2/c1-21-14(23)8-2-3-24-13(8)20-15(21)25-6-11(22)19-12-9(17)4-7(16)5-10(12)18/h2-5H,6H2,1H3,(H,19,22)
InChIKeyRDBBYRJWPUDATB-UHFFFAOYSA-N
XLogP4.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.76
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-1,2-oxazol-5-yl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 30173583
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35790727
N-(4-bromophenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772686
4-chloro-N'-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 35790709
N-(2-fluorophenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772809
N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772903
2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 40781429
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772690
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 35772920
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 35772849
N-(2-methyl-4-nitrophenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35960752
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
CID 51215600

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide (CID 35772750) is 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide is Cn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2sccc2c1=O.
What is the InChIKey of 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is RDBBYRJWPUDATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3O2S2/c1-21-14(23)8-2-3-24-13(8)20-15(21)25-6-11(22)19-12-9(17)4-7(16)5-10(12)18/h2-5H,6H2,1H3,(H,19,22).
What are the key properties of 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 434.76 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 35772750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).