3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C18H16ClN3O4S2 — CID 41028302

IUPAC3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCS(=O)(=O)c1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H16ClN3O4S2/c1-28(24,25)15-8-2-12(3-9-15)17-21-22-18(26-17)20-16(23)10-11-27-14-6-4-13(19)5-7-14/h2-9H,10-11H2,1H3,(H,20,22,23)
InChIKeyOJPJNBJDZHPBEJ-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.91
Rot. Bonds7

About 3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 41028302) has the molecular formula C18H16ClN3O4S2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID41028302
Molecular FormulaC18H16ClN3O4S2
Molecular Weight437.93 g/mol
Exact Mass437.03
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCS(=O)(=O)c1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H16ClN3O4S2/c1-28(24,25)15-8-2-12(3-9-15)17-21-22-18(26-17)20-16(23)10-11-27-14-6-4-13(19)5-7-14/h2-9H,10-11H2,1H3,(H,20,22,23)
InChIKeyOJPJNBJDZHPBEJ-UHFFFAOYSA-N
XLogP3.91
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41375407
3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7578299
3-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43976508
2-(4-chlorophenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16822911
3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41375471
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254564
3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43977052
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 18127801
3-(4-fluorophenyl)sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 7254939
2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977225
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086523

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 41028302) is 3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is CS(=O)(=O)c1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is OJPJNBJDZHPBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S2/c1-28(24,25)15-8-2-12(3-9-15)17-21-22-18(26-17)20-16(23)10-11-27-14-6-4-13(19)5-7-14/h2-9H,10-11H2,1H3,(H,20,22,23).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 437.93 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 41028302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).