3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide

C24H26N4O4S — CID 55782703

IUPAC3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C24H26N4O4S/c1-16-12-19(14-22(17(16)2)33(31,32)28(3)4)24(30)27-20-10-7-8-18(13-20)23(29)26-15-21-9-5-6-11-25-21/h5-14H,15H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyORLCANKQZPPPJX-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.13
Rot. Bonds7

About 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 55782703) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID55782703
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C24H26N4O4S/c1-16-12-19(14-22(17(16)2)33(31,32)28(3)4)24(30)27-20-10-7-8-18(13-20)23(29)26-15-21-9-5-6-11-25-21/h5-14H,15H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyORLCANKQZPPPJX-UHFFFAOYSA-N
XLogP3.13
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964388
6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 48659585
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39131564
N-[[3-(butanoylamino)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55782609
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55783525
3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide
CID 51337793
5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 55783720
1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109055004
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide (CID 55782703) is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide is Cc1cc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is ORLCANKQZPPPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-16-12-19(14-22(17(16)2)33(31,32)28(3)4)24(30)27-20-10-7-8-18(13-20)23(29)26-15-21-9-5-6-11-25-21/h5-14H,15H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 466.56 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55782703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).