2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide

C18H16ClN3O2S2 — CID 4521600

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1
InChIInChI=1S/C18H16ClN3O2S2/c1-2-24-15-10-6-5-9-14(15)20-16(23)11-25-18-21-17(22-26-18)12-7-3-4-8-13(12)19/h3-10H,2,11H2,1H3,(H,20,23)
InChIKeyZJCWJFMDPCYQGD-UHFFFAOYSA-N
MW405.93 g/mol
LogP4.99
Rot. Bonds7

About 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide

2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 4521600) has the molecular formula C18H16ClN3O2S2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide
PubChem CID4521600
Molecular FormulaC18H16ClN3O2S2
Molecular Weight405.93 g/mol
Exact Mass405.04
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1
InChIInChI=1S/C18H16ClN3O2S2/c1-2-24-15-10-6-5-9-14(15)20-16(23)11-25-18-21-17(22-26-18)12-7-3-4-8-13(12)19/h3-10H,2,11H2,1H3,(H,20,23)
InChIKeyZJCWJFMDPCYQGD-UHFFFAOYSA-N
XLogP4.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-((3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl)thio)-N-(2,5-dimethoxyphenyl)acetamide
CID 3635142
2-{[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
CID 4521598
2-{[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 4522621
2-((3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl)thio)-N-(3,4-dimethoxyphenyl)acetamide
CID 18554684
2-((3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 4521599
2-((4-Amino-5-(4-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(2-meo-5-ME-PH)acetamide
CID 1051819
N-(5-chloro-2-methoxyphenyl)-2-((3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 4577086
2-((3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide
CID 18554683
2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)-N-phenylacetamide
CID 3296613
2-((4-Amino-5-(3-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(2-meo-5-ME-PH)acetamide
CID 1051771
2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2196283
N-(3-fluorophenyl)-2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 3701243

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide (CID 4521600) is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is ZJCWJFMDPCYQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S2/c1-2-24-15-10-6-5-9-14(15)20-16(23)11-25-18-21-17(22-26-18)12-7-3-4-8-13(12)19/h3-10H,2,11H2,1H3,(H,20,23).
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide?
2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 405.93 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 4521600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).