4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide

C22H22N4O5S — CID 55964388

IUPAC4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)ccc1OC
InChIInChI=1S/C22H22N4O5S/c1-23-32(29,30)20-13-16(9-10-19(20)31-2)22(28)26-17-8-5-6-15(12-17)21(27)25-14-18-7-3-4-11-24-18/h3-13,23H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMTTVWSYOXMAZJV-UHFFFAOYSA-N
MW454.51 g/mol
LogP2.18
Rot. Bonds8

About 4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide

4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 55964388) has the molecular formula C22H22N4O5S and a molecular weight of 454.51 g/mol. Its IUPAC name is 4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID55964388
Molecular FormulaC22H22N4O5S
Molecular Weight454.51 g/mol
Exact Mass454.13
IUPAC Name4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)ccc1OC
InChIInChI=1S/C22H22N4O5S/c1-23-32(29,30)20-13-16(9-10-19(20)31-2)22(28)26-17-8-5-6-15(12-17)21(27)25-14-18-7-3-4-11-24-18/h3-13,23H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMTTVWSYOXMAZJV-UHFFFAOYSA-N
XLogP2.18
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964259
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
4-methoxy-3-(methylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700507
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55782703
N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 18147880
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 17466951
4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414636
4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 40742222

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide (CID 55964388) is 4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide is CNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)ccc1OC.
What is the InChIKey of 4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is MTTVWSYOXMAZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S/c1-23-32(29,30)20-13-16(9-10-19(20)31-2)22(28)26-17-8-5-6-15(12-17)21(27)25-14-18-7-3-4-11-24-18/h3-13,23H,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 454.51 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55964388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).