3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide

C17H12Cl3N3O2S — CID 55483019

IUPAC3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide
SMILESO=C(CCSc1nnc(-c2cccc(Cl)c2)o1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl3N3O2S/c18-11-4-1-3-10(9-11)16-22-23-17(25-16)26-8-7-14(24)21-15-12(19)5-2-6-13(15)20/h1-6,9H,7-8H2,(H,21,24)
InChIKeyBYRYEBQHEFVHKJ-UHFFFAOYSA-N
MW428.73 g/mol
LogP5.82
Rot. Bonds6

About 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide

3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 55483019) has the molecular formula C17H12Cl3N3O2S and a molecular weight of 428.73 g/mol. Its IUPAC name is 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide
PubChem CID55483019
Molecular FormulaC17H12Cl3N3O2S
Molecular Weight428.73 g/mol
Exact Mass426.97
IUPAC Name3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide
SMILESO=C(CCSc1nnc(-c2cccc(Cl)c2)o1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl3N3O2S/c18-11-4-1-3-10(9-11)16-22-23-17(25-16)26-8-7-14(24)21-15-12(19)5-2-6-13(15)20/h1-6,9H,7-8H2,(H,21,24)
InChIKeyBYRYEBQHEFVHKJ-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

Analyze 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4211464
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-difluorophenyl)acetamide
CID 7533871
N-(3-chlorophenyl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5018511
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3619493
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 861507
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamine
CID 39357852
N-(4-chlorophenyl)-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 4306999
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
CID 5031722
N-(3-chlorophenyl)-2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1374929
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 7661190
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide
CID 3926264
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7534190

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide (CID 55483019) is 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide is O=C(CCSc1nnc(-c2cccc(Cl)c2)o1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is BYRYEBQHEFVHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3O2S/c18-11-4-1-3-10(9-11)16-22-23-17(25-16)26-8-7-14(24)21-15-12(19)5-2-6-13(15)20/h1-6,9H,7-8H2,(H,21,24).
What are the key properties of 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide?
3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)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-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 55483019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).