N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide

C15H17N3O4S — CID 118572860

IUPACN-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide
SMILESCOCCNC(=O)c1cccc(NS(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C15H17N3O4S/c1-22-9-8-17-15(19)12-4-2-5-13(10-12)18-23(20,21)14-6-3-7-16-11-14/h2-7,10-11,18H,8-9H2,1H3,(H,17,19)
InChIKeyLYEXCSDHVLZUCW-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.26
Rot. Bonds7

About N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide

N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide (PubChem CID 118572860) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide
PubChem CID118572860
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide
SMILESCOCCNC(=O)c1cccc(NS(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C15H17N3O4S/c1-22-9-8-17-15(19)12-4-2-5-13(10-12)18-23(20,21)14-6-3-7-16-11-14/h2-7,10-11,18H,8-9H2,1H3,(H,17,19)
InChIKeyLYEXCSDHVLZUCW-UHFFFAOYSA-N
XLogP1.26
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(pyridin-3-ylsulfonylamino)benzamide
CID 118572866
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 18161967
4-methoxy-N-(2-methoxyethyl)-3-(pyridin-3-ylsulfamoyl)benzamide
CID 56684218
3-(benzenesulfonamido)-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55408119
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide
CID 153033786
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851
N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593247
3-[(2-ethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063665

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide (CID 118572860) is N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide is COCCNC(=O)c1cccc(NS(=O)(=O)c2cccnc2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide?
The InChIKey is LYEXCSDHVLZUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-22-9-8-17-15(19)12-4-2-5-13(10-12)18-23(20,21)14-6-3-7-16-11-14/h2-7,10-11,18H,8-9H2,1H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide?
N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide has a molecular weight of 335.39 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide is sourced from PubChem (CID 118572860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).