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

C18H17N3O2S2 — CID 134010615

IUPAC2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESCSCc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)o1
InChIInChI=1S/C18H17N3O2S2/c1-24-12-17-20-21-18(23-17)25-11-16(22)19-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyDKHGGKTWIQBMPB-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.33
Rot. Bonds7

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

2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide (PubChem CID 134010615) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
PubChem CID134010615
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESCSCc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)o1
InChIInChI=1S/C18H17N3O2S2/c1-24-12-17-20-21-18(23-17)25-11-16(22)19-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyDKHGGKTWIQBMPB-UHFFFAOYSA-N
XLogP4.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78762625
N-(4-bromo-2-fluorophenyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 134010551
2-[[5-[4-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 16761436
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 134010543
N-(4-butan-2-ylphenyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 134010584
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 949151
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 112779911
N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 4785047
N-[5-[2-oxo-2-(2-phenylanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 43814598
N-(2-cyanophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2443236
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 859356
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 2032833

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide (CID 134010615) is 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide is CSCc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)o1.
What is the InChIKey of 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide?
The InChIKey is DKHGGKTWIQBMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-24-12-17-20-21-18(23-17)25-11-16(22)19-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide?
2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide has a molecular weight of 371.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 134010615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).