4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide

C23H25N3O4S — CID 33499844

IUPAC4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C23H25N3O4S/c1-23(2,3)26-31(28,29)21-12-10-17(11-13-21)22(27)25-18-8-6-9-20(15-18)30-16-19-7-4-5-14-24-19/h4-15,26H,16H2,1-3H3,(H,25,27)
InChIKeyDPZBCSHSUSCBJL-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.99
Rot. Bonds7

About 4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide

4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide (PubChem CID 33499844) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
PubChem CID33499844
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C23H25N3O4S/c1-23(2,3)26-31(28,29)21-12-10-17(11-13-21)22(27)25-18-8-6-9-20(15-18)30-16-19-7-4-5-14-24-19/h4-15,26H,16H2,1-3H3,(H,25,27)
InChIKeyDPZBCSHSUSCBJL-UHFFFAOYSA-N
XLogP3.99
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
CID 55645126
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38669447
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 55985813
4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 31528348
N-(3-fluorophenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060896
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide
CID 55499981
N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 43069660
4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 34682520
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 38667056

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide (CID 33499844) is 4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The InChIKey is DPZBCSHSUSCBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-23(2,3)26-31(28,29)21-12-10-17(11-13-21)22(27)25-18-8-6-9-20(15-18)30-16-19-7-4-5-14-24-19/h4-15,26H,16H2,1-3H3,(H,25,27).
What are the key properties of 4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide has a molecular weight of 439.54 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 33499844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).