N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C17H13ClN4OS2 — CID 7889460

IUPACN-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESN#CCCN(C(=O)CSc1ncnc2sccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN4OS2/c18-12-3-1-4-13(9-12)22(7-2-6-19)15(23)10-25-17-14-5-8-24-16(14)20-11-21-17/h1,3-5,8-9,11H,2,7,10H2
InChIKeyUEPRWKRHVHOCKD-UHFFFAOYSA-N
MW388.91 g/mol
LogP4.38
Rot. Bonds6

About N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 7889460) has the molecular formula C17H13ClN4OS2 and a molecular weight of 388.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID7889460
Molecular FormulaC17H13ClN4OS2
Molecular Weight388.91 g/mol
Exact Mass388.02
IUPAC NameN-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESN#CCCN(C(=O)CSc1ncnc2sccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN4OS2/c18-12-3-1-4-13(9-12)22(7-2-6-19)15(23)10-25-17-14-5-8-24-16(14)20-11-21-17/h1,3-5,8-9,11H,2,7,10H2
InChIKeyUEPRWKRHVHOCKD-UHFFFAOYSA-N
XLogP4.38
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.91
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide 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-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 7889460) is N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is N#CCCN(C(=O)CSc1ncnc2sccc12)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is UEPRWKRHVHOCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4OS2/c18-12-3-1-4-13(9-12)22(7-2-6-19)15(23)10-25-17-14-5-8-24-16(14)20-11-21-17/h1,3-5,8-9,11H,2,7,10H2.
What are the key properties of N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 388.91 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 7889460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).