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

C23H22Cl2N4O4S — CID 134180139

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

N-[3,5-dichloro-4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2-pyridinyl)acetamide (PubChem CID 134180139) has the molecular formula C23H22Cl2N4O4S and a molecular weight of 521.43 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: N-[3,5-dichloro-4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2-pyridinyl)acetamide
• PubChem CID: 134180139
• Molecular Formula: C23H22Cl2N4O4S
• Molecular Weight: 521.43 g/mol
• Exact Mass: 520.07
• IUPAC Name: N-[3,5-dichloro-4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2-pyridinyl)acetamide
• SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(C3(c4noc(C5CC5)n4)CC3)c(Cl)c2)nc1
• InChI: InChI=1S/C23H22Cl2N4O4S/c1-2-34(31,32)16-6-5-14(26-12-16)11-19(30)27-15-9-17(24)20(18(25)10-15)23(7-8-23)22-28-21(33-29-22)13-3-4-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,27,30)
• InChIKey: MSMUALZLKVIXAK-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 115.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.43
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3,5-dichloro-4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2-pyridinyl)acetamide (CID 134180139) is N-[3,5-dichloro-4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2-pyridinyl)acetamide.

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

The canonical SMILES for N-[3,5-dichloro-4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2-pyridinyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(C3(c4noc(C5CC5)n4)CC3)c(Cl)c2)nc1.

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

The InChIKey is MSMUALZLKVIXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O4S/c1-2-34(31,32)16-6-5-14(26-12-16)11-19(30)27-15-9-17(24)20(18(25)10-15)23(7-8-23)22-28-21(33-29-22)13-3-4-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,27,30).

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

N-[3,5-dichloro-4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2-pyridinyl)acetamide has a molecular weight of 521.43 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-dichloro-4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2-pyridinyl)acetamide is sourced from PubChem (CID 134180139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).