2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate

C29H31N5O7S — CID 23288611

About 2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate

2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate (PubChem CID 23288611) has the molecular formula C29H31N5O7S and a molecular weight of 593.66 g/mol. Its IUPAC name is 2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate.

Molecular Properties

• Compound Name: 2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate
• PubChem CID: 23288611
• Molecular Formula: C29H31N5O7S
• Molecular Weight: 593.66 g/mol
• Exact Mass: 593.19
• IUPAC Name: 2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate
• SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)cc(C)nc1OCCOC(=O)Nc1ccccn1
• InChI: InChI=1S/C29H31N5O7S/c1-19(2)21-12-13-26(31-18-21)42(36,37)34-22-17-20(3)32-28(27(22)41-24-10-6-5-9-23(24)38-4)39-15-16-40-29(35)33-25-11-7-8-14-30-25/h5-14,17-19H,15-16H2,1-4H3,(H,32,34)(H,30,33,35)
• InChIKey: QMIREKOBBOEKIT-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 150.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.66
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate?

The IUPAC name of 2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate (CID 23288611) is 2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate.

What is the SMILES notation for 2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate?

The canonical SMILES for 2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate is COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)cc(C)nc1OCCOC(=O)Nc1ccccn1.

What is the InChIKey of 2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate?

The InChIKey is QMIREKOBBOEKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O7S/c1-19(2)21-12-13-26(31-18-21)42(36,37)34-22-17-20(3)32-28(27(22)41-24-10-6-5-9-23(24)38-4)39-15-16-40-29(35)33-25-11-7-8-14-30-25/h5-14,17-19H,15-16H2,1-4H3,(H,32,34)(H,30,33,35).

What are the key properties of 2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate?

2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate has a molecular weight of 593.66 g/mol, XLogP of 5.53, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(2-methoxyphenoxy)-6-methyl-4-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-pyridinyl]oxy]ethyl N-pyridin-2-ylcarbamate is sourced from PubChem (CID 23288611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).