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

C19H19N3O4S2 — CID 7578299

IUPAC3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(SCCC(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-13-6-8-15(9-7-13)27-11-10-17(23)20-19-22-21-18(26-19)14-4-3-5-16(12-14)28(2,24)25/h3-9,12H,10-11H2,1-2H3,(H,20,22,23)
InChIKeySVZVHEKKGRFZQX-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.57
Rot. Bonds7

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

3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 7578299) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID7578299
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(SCCC(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-13-6-8-15(9-7-13)27-11-10-17(23)20-19-22-21-18(26-19)14-4-3-5-16(12-14)28(2,24)25/h3-9,12H,10-11H2,1-2H3,(H,20,22,23)
InChIKeySVZVHEKKGRFZQX-UHFFFAOYSA-N
XLogP3.57
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16822911
3-(4-chlorophenyl)sulfanyl-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41028302
3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41375407
2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977225
2-(4-fluorophenyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977726
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 43976222
3-(4-fluorophenyl)sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 7254939
2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977427
2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41227799
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896
3-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43976508
2-(3-methoxyphenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977307

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 7578299) is 3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(SCCC(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is SVZVHEKKGRFZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-13-6-8-15(9-7-13)27-11-10-17(23)20-19-22-21-18(26-19)14-4-3-5-16(12-14)28(2,24)25/h3-9,12H,10-11H2,1-2H3,(H,20,22,23).
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 417.51 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 7578299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).