1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C28H32N4O6S — CID 160647579

About 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 160647579) has the molecular formula C28H32N4O6S and a molecular weight of 552.65 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 160647579
• Molecular Formula: C28H32N4O6S
• Molecular Weight: 552.65 g/mol
• Exact Mass: 552.20
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: O=C(Nc1cccc(-c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
• InChI: InChI=1S/C28H30N4O6S.H2/c33-27(28(10-11-28)21-6-9-24-25(18-21)38-19-37-24)31-26-3-1-2-23(30-26)20-4-7-22(8-5-20)39(34,35)29-12-13-32-14-16-36-17-15-32;/h1-9,18,29H,10-17,19H2,(H,30,31,33);1H
• InChIKey: RJZJPWDJBWKVDM-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 119.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.65
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 160647579) is 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is O=C(Nc1cccc(-c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is RJZJPWDJBWKVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O6S.H2/c33-27(28(10-11-28)21-6-9-24-25(18-21)38-19-37-24)31-26-3-1-2-23(30-26)20-4-7-22(8-5-20)39(34,35)29-12-13-32-14-16-36-17-15-32;/h1-9,18,29H,10-17,19H2,(H,30,31,33);1H.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 552.65 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 160647579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).