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

C17H12Cl3N3O2S — CID 43977052

IUPAC3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H12Cl3N3O2S/c18-10-1-4-12(5-2-10)26-8-7-15(24)21-17-23-22-16(25-17)13-6-3-11(19)9-14(13)20/h1-6,9H,7-8H2,(H,21,23,24)
InChIKeyQPQRWXQIOFIQQC-UHFFFAOYSA-N
MW428.73 g/mol
LogP5.82
Rot. Bonds6

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

3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 43977052) has the molecular formula C17H12Cl3N3O2S and a molecular weight of 428.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID43977052
Molecular FormulaC17H12Cl3N3O2S
Molecular Weight428.73 g/mol
Exact Mass426.97
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H12Cl3N3O2S/c18-10-1-4-12(5-2-10)26-8-7-15(24)21-17-23-22-16(25-17)13-6-3-11(19)9-14(13)20/h1-6,9H,7-8H2,(H,21,23,24)
InChIKeyQPQRWXQIOFIQQC-UHFFFAOYSA-N
XLogP5.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.73
LogP ≤ 55.82
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-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide
CID 43977044
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 5060857
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 41085860
3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41375407
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-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41028302
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide
CID 43977106
2-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976507
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide
CID 43977085
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide
CID 43973027
3-(4-chlorophenyl)sulfanyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 40956842

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 43977052) is 3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is QPQRWXQIOFIQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3O2S/c18-10-1-4-12(5-2-10)26-8-7-15(24)21-17-23-22-16(25-17)13-6-3-11(19)9-14(13)20/h1-6,9H,7-8H2,(H,21,23,24).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 428.73 g/mol, XLogP of 5.82, 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-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 43977052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).