N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C19H22N4O2S3 — CID 2498064

IUPACN-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(=O)NCCC(C)C)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C19H22N4O2S3/c1-11(2)6-7-20-19(25)23-15(24)10-28-18-16-13(14-5-4-8-26-14)9-27-17(16)21-12(3)22-18/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,20,23,24,25)
InChIKeyGAJZCNXDMUSUMU-UHFFFAOYSA-N
MW434.61 g/mol
LogP4.69
Rot. Bonds7

About N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 2498064) has the molecular formula C19H22N4O2S3 and a molecular weight of 434.61 g/mol. Its IUPAC name is N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID2498064
Molecular FormulaC19H22N4O2S3
Molecular Weight434.61 g/mol
Exact Mass434.09
IUPAC NameN-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(=O)NCCC(C)C)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C19H22N4O2S3/c1-11(2)6-7-20-19(25)23-15(24)10-28-18-16-13(14-5-4-8-26-14)9-27-17(16)21-12(3)22-18/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,20,23,24,25)
InChIKeyGAJZCNXDMUSUMU-UHFFFAOYSA-N
XLogP4.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide 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 N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 2498064) is N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)NC(=O)NCCC(C)C)c2c(-c3cccs3)csc2n1.
What is the InChIKey of N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is GAJZCNXDMUSUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S3/c1-11(2)6-7-20-19(25)23-15(24)10-28-18-16-13(14-5-4-8-26-14)9-27-17(16)21-12(3)22-18/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,20,23,24,25).
What are the key properties of N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 434.61 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutylcarbamoyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 2498064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).