2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide

C31H23N3O2S2 — CID 2382619

IUPAC2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
SMILESCc1sc2nc(SCC(=O)Nc3ccc4ccccc4c3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C31H23N3O2S2/c1-20-27(22-11-4-2-5-12-22)28-29(38-20)33-31(34(30(28)36)25-14-6-3-7-15-25)37-19-26(35)32-24-17-16-21-10-8-9-13-23(21)18-24/h2-18H,19H2,1H3,(H,32,35)
InChIKeyYAHGUOIWPNVOCQ-UHFFFAOYSA-N
MW533.68 g/mol
LogP7.31
Rot. Bonds6

About 2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide

2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide (PubChem CID 2382619) has the molecular formula C31H23N3O2S2 and a molecular weight of 533.68 g/mol. Its IUPAC name is 2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
PubChem CID2382619
Molecular FormulaC31H23N3O2S2
Molecular Weight533.68 g/mol
Exact Mass533.12
IUPAC Name2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
SMILESCc1sc2nc(SCC(=O)Nc3ccc4ccccc4c3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C31H23N3O2S2/c1-20-27(22-11-4-2-5-12-22)28-29(38-20)33-31(34(30(28)36)25-14-6-3-7-15-25)37-19-26(35)32-24-17-16-21-10-8-9-13-23(21)18-24/h2-18H,19H2,1H3,(H,32,35)
InChIKeyYAHGUOIWPNVOCQ-UHFFFAOYSA-N
XLogP7.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.68
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 44641076
N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 989668
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-3,5-diphenylthieno[2,3-d]pyrimidin-4-one
CID 40913944
N-naphthalen-2-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4666942
methyl 4-[[2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 39922147
ethyl 2-[[2-[6-methyl-5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate
CID 3539187
prop-2-enyl 5-methyl-2-[[2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
CID 44641028
N-(3,4-dimethylphenyl)-2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2383702
ethyl 2-[[2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4829859
N-benzyl-N-methyl-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 40913981
N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 166345753
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide
CID 4517056

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide (CID 2382619) is 2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide is Cc1sc2nc(SCC(=O)Nc3ccc4ccccc4c3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1.
What is the InChIKey of 2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide?
The InChIKey is YAHGUOIWPNVOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3O2S2/c1-20-27(22-11-4-2-5-12-22)28-29(38-20)33-31(34(30(28)36)25-14-6-3-7-15-25)37-19-26(35)32-24-17-16-21-10-8-9-13-23(21)18-24/h2-18H,19H2,1H3,(H,32,35).
What are the key properties of 2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide?
2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide has a molecular weight of 533.68 g/mol, XLogP of 7.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 2382619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).