1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C27H34N2O5S — CID 158134694

About 1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158134694) has the molecular formula C27H34N2O5S and a molecular weight of 498.65 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 158134694
• Molecular Formula: C27H34N2O5S
• Molecular Weight: 498.65 g/mol
• Exact Mass: 498.22
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)(C)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(N)(=O)=O)cc1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H28N2O5S.3H2/c1-26(2,3)22-10-7-19(15-21(22)17-4-8-20(9-5-17)35(28,31)32)29-25(30)27(12-13-27)18-6-11-23-24(14-18)34-16-33-23;;;/h4-11,14-15H,12-13,16H2,1-3H3,(H,29,30)(H2,28,31,32);3*1H
• InChIKey: FTFABFBUQPFGEF-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 107.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.65
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158134694) is 1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(N)(=O)=O)cc1.[H][H].[H][H].[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is FTFABFBUQPFGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5S.3H2/c1-26(2,3)22-10-7-19(15-21(22)17-4-8-20(9-5-17)35(28,31)32)29-25(30)27(12-13-27)18-6-11-23-24(14-18)34-16-33-23;;;/h4-11,14-15H,12-13,16H2,1-3H3,(H,29,30)(H2,28,31,32);3*1H.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 498.65 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158134694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).