N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide

C21H21N3O4S — CID 6459929

IUPACN-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H21N3O4S/c1-2-28-20-12-11-18(29(26,27)23-15-17-10-6-7-13-22-17)14-19(20)24-21(25)16-8-4-3-5-9-16/h3-14,23H,2,15H2,1H3,(H,24,25)
InChIKeyHZDIIBUFQHGSCD-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.21
Rot. Bonds8

About N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide

N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 6459929) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID6459929
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H21N3O4S/c1-2-28-20-12-11-18(29(26,27)23-15-17-10-6-7-13-22-17)14-19(20)24-21(25)16-8-4-3-5-9-16/h3-14,23H,2,15H2,1H3,(H,24,25)
InChIKeyHZDIIBUFQHGSCD-UHFFFAOYSA-N
XLogP3.21
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide (CID 6459929) is N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide is CCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is HZDIIBUFQHGSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-2-28-20-12-11-18(29(26,27)23-15-17-10-6-7-13-22-17)14-19(20)24-21(25)16-8-4-3-5-9-16/h3-14,23H,2,15H2,1H3,(H,24,25).
What are the key properties of N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide?
N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 411.48 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(pyridin-2-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 6459929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).