2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide

C20H16N4OS2 — CID 39071522

IUPAC2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide
SMILESCc1sc2ncnc(SCC(=O)Nc3ccccn3)c2c1-c1ccccc1
InChIInChI=1S/C20H16N4OS2/c1-13-17(14-7-3-2-4-8-14)18-19(22-12-23-20(18)27-13)26-11-16(25)24-15-9-5-6-10-21-15/h2-10,12H,11H2,1H3,(H,21,24,25)
InChIKeyFFNGBZIITQZNGU-UHFFFAOYSA-N
MW392.51 g/mol
LogP4.79
Rot. Bonds5

About 2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide

2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide (PubChem CID 39071522) has the molecular formula C20H16N4OS2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide
PubChem CID39071522
Molecular FormulaC20H16N4OS2
Molecular Weight392.51 g/mol
Exact Mass392.08
IUPAC Name2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide
SMILESCc1sc2ncnc(SCC(=O)Nc3ccccn3)c2c1-c1ccccc1
InChIInChI=1S/C20H16N4OS2/c1-13-17(14-7-3-2-4-8-14)18-19(22-12-23-20(18)27-13)26-11-16(25)24-15-9-5-6-10-21-15/h2-10,12H,11H2,1H3,(H,21,24,25)
InChIKeyFFNGBZIITQZNGU-UHFFFAOYSA-N
XLogP4.79
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 28526977
2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-pyridin-2-ylacetamide
CID 39071514
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 711233
N-(2,6-dimethylphenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1144552
N'-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-2-phenylacetohydrazide
CID 1142938
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2377719
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 4131791
2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-phenylpropanoic acid
CID 3360520
2-[(7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]-N-pyridin-2-ylacetamide
CID 1385486
N-(3-chloro-2-methylphenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1144559
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2390487
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2707837

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide (CID 39071522) is 2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide is Cc1sc2ncnc(SCC(=O)Nc3ccccn3)c2c1-c1ccccc1.
What is the InChIKey of 2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide?
The InChIKey is FFNGBZIITQZNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS2/c1-13-17(14-7-3-2-4-8-14)18-19(22-12-23-20(18)27-13)26-11-16(25)24-15-9-5-6-10-21-15/h2-10,12H,11H2,1H3,(H,21,24,25).
What are the key properties of 2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide?
2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide has a molecular weight of 392.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 39071522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).