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

C18H17N3OS2 — CID 7119260

IUPACN-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C18H17N3OS2/c1-2-13-8-10-15(11-9-13)19-16(22)12-23-18-20-17(21-24-18)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,22)
InChIKeyOZPJCRSGYLBTSB-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.50
Rot. Bonds6

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

N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (PubChem CID 7119260) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
PubChem CID7119260
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC NameN-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C18H17N3OS2/c1-2-13-8-10-15(11-9-13)19-16(22)12-23-18-20-17(21-24-18)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,22)
InChIKeyOZPJCRSGYLBTSB-UHFFFAOYSA-N
XLogP4.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 4569596
methyl 4-[[2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetyl]amino]benzoate
CID 7119436
N-(4-acetylphenyl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 7119405
N-(3-fluorophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 3701243
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
N-(4-ethylphenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2661362
N-(3,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 7119341
N-benzyl-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 5067092
N-(4-ethylphenyl)-2-[[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 53128256
2-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4138840
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylphenyl)acetamide
CID 7692187
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 895541

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (CID 7119260) is N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The InChIKey is OZPJCRSGYLBTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-2-13-8-10-15(11-9-13)19-16(22)12-23-18-20-17(21-24-18)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,22).
What are the key properties of N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide has a molecular weight of 355.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 7119260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).