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

C18H14ClN3O2S2 — CID 5061949

IUPACN-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1
InChIInChI=1S/C18H14ClN3O2S2/c1-11(23)12-6-8-13(9-7-12)20-16(24)10-25-18-21-17(22-26-18)14-4-2-3-5-15(14)19/h2-9H,10H2,1H3,(H,20,24)
InChIKeyQHKAIZZULJHVRC-UHFFFAOYSA-N
MW403.92 g/mol
LogP4.79
Rot. Bonds6

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

N-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 5061949) has the molecular formula C18H14ClN3O2S2 and a molecular weight of 403.92 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID5061949
Molecular FormulaC18H14ClN3O2S2
Molecular Weight403.92 g/mol
Exact Mass403.02
IUPAC NameN-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1
InChIInChI=1S/C18H14ClN3O2S2/c1-11(23)12-6-8-13(9-7-12)20-16(24)10-25-18-21-17(22-26-18)14-4-2-3-5-15(14)19/h2-9H,10H2,1H3,(H,20,24)
InChIKeyQHKAIZZULJHVRC-UHFFFAOYSA-N
XLogP4.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 5061949) is N-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is QHKAIZZULJHVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S2/c1-11(23)12-6-8-13(9-7-12)20-16(24)10-25-18-21-17(22-26-18)14-4-2-3-5-15(14)19/h2-9H,10H2,1H3,(H,20,24).
What are the key properties of N-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 403.92 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 5061949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).