N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide

C16H19N3O4S — CID 109059702

IUPACN-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESCOCCNC(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H19N3O4S/c1-23-11-10-18-16(20)14-2-4-15(5-3-14)24(21,22)19-12-13-6-8-17-9-7-13/h2-9,19H,10-12H2,1H3,(H,18,20)
InChIKeyQFUIDPYZYLMOFK-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.94
Rot. Bonds8

About N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide

N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide (PubChem CID 109059702) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
PubChem CID109059702
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESCOCCNC(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H19N3O4S/c1-23-11-10-18-16(20)14-2-4-15(5-3-14)24(21,22)19-12-13-6-8-17-9-7-13/h2-9,19H,10-12H2,1H3,(H,18,20)
InChIKeyQFUIDPYZYLMOFK-UHFFFAOYSA-N
XLogP0.94
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.94
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

1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109045098
N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109059815
N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109058441
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060995
N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060984
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526
N-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 5077077
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 20854193
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide (CID 109059702) is N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide is COCCNC(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The InChIKey is QFUIDPYZYLMOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-23-11-10-18-16(20)14-2-4-15(5-3-14)24(21,22)19-12-13-6-8-17-9-7-13/h2-9,19H,10-12H2,1H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide has a molecular weight of 349.41 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109059702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).