2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide

C24H25N3O6S — CID 4869303

IUPAC2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1
InChIInChI=1S/C24H25N3O6S/c1-2-32-24-20(9-6-12-25-24)23(28)26-21-17-19(34(29,30)27-13-15-31-16-14-27)10-11-22(21)33-18-7-4-3-5-8-18/h3-12,17H,2,13-16H2,1H3,(H,26,28)
InChIKeyOCZOPLZCPNWGHF-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.55
Rot. Bonds8

About 2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide

2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide (PubChem CID 4869303) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide
PubChem CID4869303
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1
InChIInChI=1S/C24H25N3O6S/c1-2-32-24-20(9-6-12-25-24)23(28)26-21-17-19(34(29,30)27-13-15-31-16-14-27)10-11-22(21)33-18-7-4-3-5-8-18/h3-12,17H,2,13-16H2,1H3,(H,26,28)
InChIKeyOCZOPLZCPNWGHF-UHFFFAOYSA-N
XLogP3.55
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide (CID 4869303) is 2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1.
What is the InChIKey of 2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide?
The InChIKey is OCZOPLZCPNWGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-2-32-24-20(9-6-12-25-24)23(28)26-21-17-19(34(29,30)27-13-15-31-16-14-27)10-11-22(21)33-18-7-4-3-5-8-18/h3-12,17H,2,13-16H2,1H3,(H,26,28).
What are the key properties of 2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide?
2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 4869303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).