3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide

C24H25N3O4S — CID 32914434

IUPAC3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)c1
InChIInChI=1S/C24H25N3O4S/c1-16-10-11-17(2)22(12-16)32(30,31)27-21-9-5-8-20(14-21)24(29)26-15-18-6-4-7-19(13-18)23(28)25-3/h4-14,27H,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyNYICYOFERYRKRJ-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.39
Rot. Bonds7

About 3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide

3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide (PubChem CID 32914434) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide
PubChem CID32914434
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)c1
InChIInChI=1S/C24H25N3O4S/c1-16-10-11-17(2)22(12-16)32(30,31)27-21-9-5-8-20(14-21)24(29)26-15-18-6-4-7-19(13-18)23(28)25-3/h4-14,27H,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyNYICYOFERYRKRJ-UHFFFAOYSA-N
XLogP3.39
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503479
N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 119629709
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide
CID 30686518
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide
CID 95783231
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
3-[(2,5-dimethylphenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848651
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 17496950
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide
CID 30858884
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30684354

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide (CID 32914434) is 3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)c1.
What is the InChIKey of 3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide?
The InChIKey is NYICYOFERYRKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-16-10-11-17(2)22(12-16)32(30,31)27-21-9-5-8-20(14-21)24(29)26-15-18-6-4-7-19(13-18)23(28)25-3/h4-14,27H,15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide?
3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide has a molecular weight of 451.55 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 32914434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).