3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide

C16H19N3O4S — CID 7618083

IUPAC3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C16H19N3O4S/c1-23-15-7-4-5-13(11-15)16(20)18-9-10-24(21,22)19-12-14-6-2-3-8-17-14/h2-8,11,19H,9-10,12H2,1H3,(H,18,20)
InChIKeyPHAVAHVPEUFQIY-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.94
Rot. Bonds8

About 3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide

3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide (PubChem CID 7618083) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide
PubChem CID7618083
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C16H19N3O4S/c1-23-15-7-4-5-13(11-15)16(20)18-9-10-24(21,22)19-12-14-6-2-3-8-17-14/h2-8,11,19H,9-10,12H2,1H3,(H,18,20)
InChIKeyPHAVAHVPEUFQIY-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

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Related Compounds

N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
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CID 122707126
ROCK inhibitor-2
CID 51003130
3-methoxy-N-(pyridin-3-yl)benzamide
CID 777049
3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 2108129
N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2984987
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2985341
N-{3-[(4-methoxybenzoyl)amino]propyl}-2-pyridinecarboxamide
CID 2988566
N-[3-(3-Methoxy-benzoylamino)-propyl]-nicotinamide
CID 2989253
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
CID 4787954
Pyridine-2-carboxylic acid [3-(2-m-tolyloxy-acetylamino)-propyl]-amide
CID 6456985

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide (CID 7618083) is 3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide is COc1cccc(C(=O)NCCS(=O)(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide?
The InChIKey is PHAVAHVPEUFQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-23-15-7-4-5-13(11-15)16(20)18-9-10-24(21,22)19-12-14-6-2-3-8-17-14/h2-8,11,19H,9-10,12H2,1H3,(H,18,20).
What are the key properties of 3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide?
3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]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 3-methoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 7618083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).