2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide

C18H27N3OS2 — CID 8570411

IUPAC2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCCc1cc2c(SCC(=O)NC(C)(C)CC(C)(C)C)ncnc2s1
InChIInChI=1S/C18H27N3OS2/c1-7-12-8-13-15(19-11-20-16(13)24-12)23-9-14(22)21-18(5,6)10-17(2,3)4/h8,11H,7,9-10H2,1-6H3,(H,21,22)
InChIKeySBWOPBJCWNYUTJ-UHFFFAOYSA-N
MW365.57 g/mol
LogP4.68
Rot. Bonds6

About 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 8570411) has the molecular formula C18H27N3OS2 and a molecular weight of 365.57 g/mol. Its IUPAC name is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID8570411
Molecular FormulaC18H27N3OS2
Molecular Weight365.57 g/mol
Exact Mass365.16
IUPAC Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCCc1cc2c(SCC(=O)NC(C)(C)CC(C)(C)C)ncnc2s1
InChIInChI=1S/C18H27N3OS2/c1-7-12-8-13-15(19-11-20-16(13)24-12)23-9-14(22)21-18(5,6)10-17(2,3)4/h8,11H,7,9-10H2,1-6H3,(H,21,22)
InChIKeySBWOPBJCWNYUTJ-UHFFFAOYSA-N
XLogP4.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.57
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 8570411) is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide is CCc1cc2c(SCC(=O)NC(C)(C)CC(C)(C)C)ncnc2s1.
What is the InChIKey of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is SBWOPBJCWNYUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS2/c1-7-12-8-13-15(19-11-20-16(13)24-12)23-9-14(22)21-18(5,6)10-17(2,3)4/h8,11H,7,9-10H2,1-6H3,(H,21,22).
What are the key properties of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 365.57 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 8570411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).