4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide

C23H24N2O4S — CID 52685715

IUPAC4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O4S/c1-25(2)30(27,28)22-13-11-20(12-14-22)23(26)24-16-19-9-6-10-21(15-19)29-17-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyABKXPLVWDKJARK-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.45
Rot. Bonds8

About 4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide

4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 52685715) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
PubChem CID52685715
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O4S/c1-25(2)30(27,28)22-13-11-20(12-14-22)23(26)24-16-19-9-6-10-21(15-19)29-17-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyABKXPLVWDKJARK-UHFFFAOYSA-N
XLogP3.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596113
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39576422
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038
3-(dimethylamino)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685710
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
N-[(3-phenylmethoxyphenyl)methyl]-2H-benzotriazole-5-carboxamide
CID 60515368
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide
CID 55637639
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55812442
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4801676
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
3-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzoic acid
CID 45396817

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide (CID 52685715) is 4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is ABKXPLVWDKJARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-25(2)30(27,28)22-13-11-20(12-14-22)23(26)24-16-19-9-6-10-21(15-19)29-17-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3,(H,24,26).
What are the key properties of 4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 424.52 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 52685715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).