N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide

C17H14ClN3O2S — CID 7254564

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-11-2-8-14(9-3-11)24-10-15(22)19-17-21-20-16(23-17)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyZJNATEOSKCNXRD-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.43
Rot. Bonds5

About N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 7254564) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID7254564
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-11-2-8-14(9-3-11)24-10-15(22)19-17-21-20-16(23-17)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyZJNATEOSKCNXRD-UHFFFAOYSA-N
XLogP4.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976507
2-(4-chlorophenyl)sulfanyl-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43971918
2-(4-chlorophenyl)sulfanyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7254642
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
2-(4-chlorophenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16822911
3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41375407
3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41028302
3-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43976508
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylsulfanylphenyl)acetamide
CID 27365004
N-(2-bromo-4-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 26775100
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(diethylamino)acetamide
CID 24854246
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide
CID 43977044

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide (CID 7254564) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is ZJNATEOSKCNXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-11-2-8-14(9-3-11)24-10-15(22)19-17-21-20-16(23-17)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,21,22).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 359.84 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 7254564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).