N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C28H25Cl2N3O4S — CID 134179744

About N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 134179744) has the molecular formula C28H25Cl2N3O4S and a molecular weight of 570.50 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
• PubChem CID: 134179744
• Molecular Formula: C28H25Cl2N3O4S
• Molecular Weight: 570.50 g/mol
• Exact Mass: 569.09
• IUPAC Name: N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
• SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(C3(c4nc(-c5ccc(C)cc5)no4)CC3)c(Cl)c2)cc1
• InChI: InChI=1S/C28H25Cl2N3O4S/c1-3-38(35,36)21-10-6-18(7-11-21)14-24(34)31-20-15-22(29)25(23(30)16-20)28(12-13-28)27-32-26(33-37-27)19-8-4-17(2)5-9-19/h4-11,15-16H,3,12-14H2,1-2H3,(H,31,34)
• InChIKey: OWGWEWPBUQMKTN-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 102.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.50
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?

The IUPAC name of N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 134179744) is N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

What is the SMILES notation for N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?

The canonical SMILES for N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(C3(c4nc(-c5ccc(C)cc5)no4)CC3)c(Cl)c2)cc1.

What is the InChIKey of N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?

The InChIKey is OWGWEWPBUQMKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N3O4S/c1-3-38(35,36)21-10-6-18(7-11-21)14-24(34)31-20-15-22(29)25(23(30)16-20)28(12-13-28)27-32-26(33-37-27)19-8-4-17(2)5-9-19/h4-11,15-16H,3,12-14H2,1-2H3,(H,31,34).

What are the key properties of N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?

N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 570.50 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-dichloro-4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 134179744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).