2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide

C18H21N3O5S — CID 5012564

IUPAC2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H21N3O5S/c1-2-26-18-16(7-4-8-19-18)17(22)20-14-5-3-6-15(13-14)27(23,24)21-9-11-25-12-10-21/h3-8,13H,2,9-12H2,1H3,(H,20,22)
InChIKeyCYWMRWHYRAVPFS-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.75
Rot. Bonds6

About 2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide

2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 5012564) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID5012564
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H21N3O5S/c1-2-26-18-16(7-4-8-19-18)17(22)20-14-5-3-6-15(13-14)27(23,24)21-9-11-25-12-10-21/h3-8,13H,2,9-12H2,1H3,(H,20,22)
InChIKeyCYWMRWHYRAVPFS-UHFFFAOYSA-N
XLogP1.75
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide (CID 5012564) is 2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is CYWMRWHYRAVPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-2-26-18-16(7-4-8-19-18)17(22)20-14-5-3-6-15(13-14)27(23,24)21-9-11-25-12-10-21/h3-8,13H,2,9-12H2,1H3,(H,20,22).
What are the key properties of 2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 5012564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).