N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C16H15N3O2S3 — CID 167944282

IUPACN-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCSc1cccc(NC(=O)CSc2nnc(-c3sccc3C)o2)c1
InChIInChI=1S/C16H15N3O2S3/c1-10-6-7-23-14(10)15-18-19-16(21-15)24-9-13(20)17-11-4-3-5-12(8-11)22-2/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyIHNIQSVKSDCYJA-UHFFFAOYSA-N
MW377.52 g/mol
LogP4.56
Rot. Bonds6

About N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 167944282) has the molecular formula C16H15N3O2S3 and a molecular weight of 377.52 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID167944282
Molecular FormulaC16H15N3O2S3
Molecular Weight377.52 g/mol
Exact Mass377.03
IUPAC NameN-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCSc1cccc(NC(=O)CSc2nnc(-c3sccc3C)o2)c1
InChIInChI=1S/C16H15N3O2S3/c1-10-6-7-23-14(10)15-18-19-16(21-15)24-9-13(20)17-11-4-3-5-12(8-11)22-2/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyIHNIQSVKSDCYJA-UHFFFAOYSA-N
XLogP4.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 75383998
N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 7499720
N-(3-ethylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981706
N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162061
N-(3-fluorophenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3928884
N-(3-methylphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162083
N-(3-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 645555
N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 8582324
N-(3-chlorophenyl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5018511
N-ethyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 78812898
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 7211382
N-(3-iodophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112782883

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 167944282) is N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CSc1cccc(NC(=O)CSc2nnc(-c3sccc3C)o2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is IHNIQSVKSDCYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S3/c1-10-6-7-23-14(10)15-18-19-16(21-15)24-9-13(20)17-11-4-3-5-12(8-11)22-2/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 377.52 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 167944282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).