N-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C17H17N3O3S2 — CID 6460337

IUPACN-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ncnc3sc(C)cc23)c1
InChIInChI=1S/C17H17N3O3S2/c1-10-6-12-16(18-9-19-17(12)25-10)24-8-15(21)20-13-7-11(22-2)4-5-14(13)23-3/h4-7,9H,8H2,1-3H3,(H,20,21)
InChIKeyKZGQBUQPCBXVHG-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.75
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 6460337) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID6460337
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ncnc3sc(C)cc23)c1
InChIInChI=1S/C17H17N3O3S2/c1-10-6-12-16(18-9-19-17(12)25-10)24-8-15(21)20-13-7-11(22-2)4-5-14(13)23-3/h4-7,9H,8H2,1-3H3,(H,20,21)
InChIKeyKZGQBUQPCBXVHG-UHFFFAOYSA-N
XLogP3.75
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 6460337) is N-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2ncnc3sc(C)cc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is KZGQBUQPCBXVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-10-6-12-16(18-9-19-17(12)25-10)24-8-15(21)20-13-7-11(22-2)4-5-14(13)23-3/h4-7,9H,8H2,1-3H3,(H,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 375.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 6460337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).