potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride

C28H32KNO6S — CID 173348454

About potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride

potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride (PubChem CID 173348454) has the molecular formula C28H32KNO6S and a molecular weight of 549.73 g/mol. Its IUPAC name is potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride.

Molecular Properties

• Compound Name: potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride
• PubChem CID: 173348454
• Molecular Formula: C28H32KNO6S
• Molecular Weight: 549.73 g/mol
• Exact Mass: 549.16
• IUPAC Name: potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride
• SMILES: CCCOc1cccc(CC(C(=O)NS(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)c1.[H-].[K+]
• InChI: InChI=1S/C28H31NO6S.K.H/c1-4-14-33-23-7-5-6-20(15-23)16-25(22-10-13-26-27(17-22)35-18-34-26)28(30)29-36(31,32)24-11-8-21(9-12-24)19(2)3;;/h5-13,15,17,19,25H,4,14,16,18H2,1-3H3,(H,29,30);;/q;+1;-1
• InChIKey: YFMGAMSKWJCEPU-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 90.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.73
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride?

The IUPAC name of potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride (CID 173348454) is potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride.

What is the SMILES notation for potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride?

The canonical SMILES for potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride is CCCOc1cccc(CC(C(=O)NS(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)c1.[H-].[K+].

What is the InChIKey of potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride?

The InChIKey is YFMGAMSKWJCEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO6S.K.H/c1-4-14-33-23-7-5-6-20(15-23)16-25(22-10-13-26-27(17-22)35-18-34-26)28(30)29-36(31,32)24-11-8-21(9-12-24)19(2)3;;/h5-13,15,17,19,25H,4,14,16,18H2,1-3H3,(H,29,30);;/q;+1;-1.

What are the key properties of potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride?

potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride has a molecular weight of 549.73 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-(1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)sulfonyl-3-(3-propoxyphenyl)propanamide;hydride is sourced from PubChem (CID 173348454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).