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

C21H22ClN3O6S — CID 43975968

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

3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 43975968) has the molecular formula C21H22ClN3O6S and a molecular weight of 479.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
• PubChem CID: 43975968
• Molecular Formula: C21H22ClN3O6S
• Molecular Weight: 479.94 g/mol
• Exact Mass: 479.09
• IUPAC Name: 3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
• SMILES: CCOc1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)o2)cc1OCC
• InChI: InChI=1S/C21H22ClN3O6S/c1-3-29-17-10-5-14(13-18(17)30-4-2)20-24-25-21(31-20)23-19(26)11-12-32(27,28)16-8-6-15(22)7-9-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,25,26)
• InChIKey: PRHJVICJKNGYEH-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 120.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.94
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 43975968) is 3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide is CCOc1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)o2)cc1OCC.

What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The InChIKey is PRHJVICJKNGYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O6S/c1-3-29-17-10-5-14(13-18(17)30-4-2)20-24-25-21(31-20)23-19(26)11-12-32(27,28)16-8-6-15(22)7-9-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,25,26).

What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 479.94 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 43975968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).