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

C16H19N3O4S — CID 18582842

IUPAC4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H19N3O4S/c1-23-15-6-4-14(5-7-15)16(20)18-9-10-24(21,22)19-12-13-3-2-8-17-11-13/h2-8,11,19H,9-10,12H2,1H3,(H,18,20)
InChIKeyPDQZGBHQPFSUSX-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.94
Rot. Bonds8

About 4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide

4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide (PubChem CID 18582842) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
PubChem CID18582842
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H19N3O4S/c1-23-15-6-4-14(5-7-15)16(20)18-9-10-24(21,22)19-12-13-3-2-8-17-11-13/h2-8,11,19H,9-10,12H2,1H3,(H,18,20)
InChIKeyPDQZGBHQPFSUSX-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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide (CID 18582842) is 4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide is COc1ccc(C(=O)NCCS(=O)(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide?
The InChIKey is PDQZGBHQPFSUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-23-15-6-4-14(5-7-15)16(20)18-9-10-24(21,22)19-12-13-3-2-8-17-11-13/h2-8,11,19H,9-10,12H2,1H3,(H,18,20).
What are the key properties of 4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide?
4-methoxy-N-[2-(pyridin-3-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 4-methoxy-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 18582842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).