3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide

C21H20ClN3O2S — CID 41375471

About 3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 41375471) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
• PubChem CID: 41375471
• Molecular Formula: C21H20ClN3O2S
• Molecular Weight: 413.93 g/mol
• Exact Mass: 413.10
• IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
• SMILES: O=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1
• InChI: InChI=1S/C21H20ClN3O2S/c22-17-7-9-18(10-8-17)28-12-11-19(26)23-21-25-24-20(27-21)16-6-5-14-3-1-2-4-15(14)13-16/h5-10,13H,1-4,11-12H2,(H,23,25,26)
• InChIKey: GQXLUJXKROAPSG-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.93
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?

The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 41375471) is 3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.

What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?

The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1.

What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?

The InChIKey is GQXLUJXKROAPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c22-17-7-9-18(10-8-17)28-12-11-19(26)23-21-25-24-20(27-21)16-6-5-14-3-1-2-4-15(14)13-16/h5-10,13H,1-4,11-12H2,(H,23,25,26).

What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?

3-(4-chlorophenyl)sulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 413.93 g/mol, XLogP of 5.39, 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-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 41375471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).