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

C18H21N3O5S — CID 4827304

IUPAC2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O5S/c1-2-26-18-16(4-3-9-19-18)17(22)20-14-5-7-15(8-6-14)27(23,24)21-10-12-25-13-11-21/h3-9H,2,10-13H2,1H3,(H,20,22)
InChIKeyIVNMHRQDEWXFRI-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.75
Rot. Bonds6

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

2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 4827304) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID4827304
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O5S/c1-2-26-18-16(4-3-9-19-18)17(22)20-14-5-7-15(8-6-14)27(23,24)21-10-12-25-13-11-21/h3-9H,2,10-13H2,1H3,(H,20,22)
InChIKeyIVNMHRQDEWXFRI-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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Related Compounds

2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2290469
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17112612
1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea
CID 71655702
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 2114420
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
N-(2-ethoxy-3-pyridinyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 34877593
4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068510
2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 4880424
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide (CID 4827304) is 2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is IVNMHRQDEWXFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-2-26-18-16(4-3-9-19-18)17(22)20-14-5-7-15(8-6-14)27(23,24)21-10-12-25-13-11-21/h3-9H,2,10-13H2,1H3,(H,20,22).
What are the key properties of 2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
2-ethoxy-N-(4-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-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 4827304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).