N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C16H15N3O2S2 — CID 6458060

IUPACN-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ncnc3sc(C)cc23)cc1
InChIInChI=1S/C16H15N3O2S2/c1-10-7-13-15(17-9-18-16(13)23-10)22-8-14(20)19-11-3-5-12(21-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyJUIKQSDNEAZCHG-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.74
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 6458060) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID6458060
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ncnc3sc(C)cc23)cc1
InChIInChI=1S/C16H15N3O2S2/c1-10-7-13-15(17-9-18-16(13)23-10)22-8-14(20)19-11-3-5-12(21-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyJUIKQSDNEAZCHG-UHFFFAOYSA-N
XLogP3.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 6458060) is N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2ncnc3sc(C)cc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is JUIKQSDNEAZCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10-7-13-15(17-9-18-16(13)23-10)22-8-14(20)19-11-3-5-12(21-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 345.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 6458060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).