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

C19H18ClN3O2S — CID 41375407

IUPAC3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)cc1C
InChIInChI=1S/C19H18ClN3O2S/c1-12-3-4-14(11-13(12)2)18-22-23-19(25-18)21-17(24)9-10-26-16-7-5-15(20)6-8-16/h3-8,11H,9-10H2,1-2H3,(H,21,23,24)
InChIKeyRWMHUDAIAGDHPQ-UHFFFAOYSA-N
MW387.89 g/mol
LogP5.13
Rot. Bonds6

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

3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 41375407) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID41375407
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)cc1C
InChIInChI=1S/C19H18ClN3O2S/c1-12-3-4-14(11-13(12)2)18-22-23-19(25-18)21-17(24)9-10-26-16-7-5-15(20)6-8-16/h3-8,11H,9-10H2,1-2H3,(H,21,23,24)
InChIKeyRWMHUDAIAGDHPQ-UHFFFAOYSA-N
XLogP5.13
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.89
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43976508
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide
CID 41272121
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)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43974366
3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41375471
3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43977052
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254564
2-(2,4-dichlorophenoxy)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 8698844
3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7578299
2-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976507
3-(4-chlorophenyl)sulfanyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 40956842
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 43976527

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 41375407) is 3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)cc1C.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is RWMHUDAIAGDHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-12-3-4-14(11-13(12)2)18-22-23-19(25-18)21-17(24)9-10-26-16-7-5-15(20)6-8-16/h3-8,11H,9-10H2,1-2H3,(H,21,23,24).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 387.89 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 41375407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).