N-[3,5-dichloro-4-[1-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide

C29H24Cl2F2N4O4S — CID 134176236

About N-[3,5-dichloro-4-[1-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide

N-[3,5-dichloro-4-[1-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide (PubChem CID 134176236) has the molecular formula C29H24Cl2F2N4O4S and a molecular weight of 633.50 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[1-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[3,5-dichloro-4-[1-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide
• PubChem CID: 134176236
• Molecular Formula: C29H24Cl2F2N4O4S
• Molecular Weight: 633.50 g/mol
• Exact Mass: 632.09
• IUPAC Name: N-[3,5-dichloro-4-[1-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide
• SMILES: CCS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1cc(Cl)c(C2(c3noc(-c4c(F)cccc4F)n3)CC2)c(Cl)c1
• InChI: InChI=1S/C29H24Cl2F2N4O4S/c1-2-42(39,40)18-6-7-23-16(12-18)8-11-37(23)15-24(38)34-17-13-19(30)26(20(31)14-17)29(9-10-29)28-35-27(41-36-28)25-21(32)4-3-5-22(25)33/h3-7,12-14H,2,8-11,15H2,1H3,(H,34,38)
• InChIKey: QFVJVFJPQPIRBM-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.50
LogP ≤ 5	6.20
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-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide?

The IUPAC name of N-[3,5-dichloro-4-[1-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide (CID 134176236) is N-[3,5-dichloro-4-[1-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide.

What is the SMILES notation for N-[3,5-dichloro-4-[1-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide?

The canonical SMILES for N-[3,5-dichloro-4-[1-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide is CCS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1cc(Cl)c(C2(c3noc(-c4c(F)cccc4F)n3)CC2)c(Cl)c1.

What is the InChIKey of N-[3,5-dichloro-4-[1-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide?

The InChIKey is QFVJVFJPQPIRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2F2N4O4S/c1-2-42(39,40)18-6-7-23-16(12-18)8-11-37(23)15-24(38)34-17-13-19(30)26(20(31)14-17)29(9-10-29)28-35-27(41-36-28)25-21(32)4-3-5-22(25)33/h3-7,12-14H,2,8-11,15H2,1H3,(H,34,38).

What are the key properties of N-[3,5-dichloro-4-[1-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide?

N-[3,5-dichloro-4-[1-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 633.50 g/mol, XLogP of 6.20, 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-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(5-ethylsulfonyl-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 134176236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).