N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide

C32H35FN4O4S — CID 155060951

About N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 155060951) has the molecular formula C32H35FN4O4S and a molecular weight of 590.72 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 155060951
• Molecular Formula: C32H35FN4O4S
• Molecular Weight: 590.72 g/mol
• Exact Mass: 590.24
• IUPAC Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: NS(=O)(=O)c1cccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)c1
• InChI: InChI=1S/C32H35FN4O4S/c33-32-17-31(18-32,19-32)28(38)37(24-5-1-3-22(15-24)23-4-2-6-25(16-23)42(34,39)40)20-29-9-12-30(13-10-29,14-11-29)27-35-26(36-41-27)21-7-8-21/h1-6,15-16,21H,7-14,17-20H2,(H2,34,39,40)
• InChIKey: KFJBDLZTORDXDQ-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 119.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.72
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 155060951) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide is NS(=O)(=O)c1cccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)c1.

What is the InChIKey of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is KFJBDLZTORDXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O4S/c33-32-17-31(18-32,19-32)28(38)37(24-5-1-3-22(15-24)23-4-2-6-25(16-23)42(34,39)40)20-29-9-12-30(13-10-29,14-11-29)27-35-26(36-41-27)21-7-8-21/h1-6,15-16,21H,7-14,17-20H2,(H2,34,39,40).

What are the key properties of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide?

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 590.72 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 155060951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).