2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide

C15H8Cl2N4O3S2 — CID 6499524

IUPAC2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
SMILESN#Cc1c(SCC(=O)Nc2cc(Cl)ccc2Cl)sc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C15H8Cl2N4O3S2/c16-6-1-2-8(17)9(3-6)19-10(22)5-25-14-7(4-18)11-12(26-14)13(23)21-15(24)20-11/h1-3H,5H2,(H,19,22)(H2,20,21,23,24)
InChIKeyLVEMIRKMAJSNQT-UHFFFAOYSA-N
MW427.29 g/mol
LogP3.19
Rot. Bonds4

About 2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide

2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 6499524) has the molecular formula C15H8Cl2N4O3S2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
PubChem CID6499524
Molecular FormulaC15H8Cl2N4O3S2
Molecular Weight427.29 g/mol
Exact Mass425.94
IUPAC Name2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
SMILESN#Cc1c(SCC(=O)Nc2cc(Cl)ccc2Cl)sc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C15H8Cl2N4O3S2/c16-6-1-2-8(17)9(3-6)19-10(22)5-25-14-7(4-18)11-12(26-14)13(23)21-15(24)20-11/h1-3H,5H2,(H,19,22)(H2,20,21,23,24)
InChIKeyLVEMIRKMAJSNQT-UHFFFAOYSA-N
XLogP3.19
TPSA118.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.29
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 6499526
2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 6499519
2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide
CID 54691664
6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidine-7-carbonitrile
CID 6499501
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 1210911
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26086204
N-(2,5-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2237735
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 8537439
N-(2,5-dichlorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7723650
N-(2,5-dichlorophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2524804
N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide
CID 26577783

Frequently Asked Questions

What is the IUPAC name of 2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide (CID 6499524) is 2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide is N#Cc1c(SCC(=O)Nc2cc(Cl)ccc2Cl)sc2c(=O)[nH]c(=O)[nH]c12.
What is the InChIKey of 2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is LVEMIRKMAJSNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4O3S2/c16-6-1-2-8(17)9(3-6)19-10(22)5-25-14-7(4-18)11-12(26-14)13(23)21-15(24)20-11/h1-3H,5H2,(H,19,22)(H2,20,21,23,24).
What are the key properties of 2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 427.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-cyano-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 6499524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).