4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide

C22H22N2O5S — CID 39576422

IUPAC4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O5S/c1-24(28-2)30(26,27)21-13-11-18(12-14-21)22(25)23-16-17-7-6-10-20(15-17)29-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyBEXXTPITNYQTKB-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.59
Rot. Bonds8

About 4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide

4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide (PubChem CID 39576422) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide
PubChem CID39576422
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O5S/c1-24(28-2)30(26,27)21-13-11-18(12-14-21)22(25)23-16-17-7-6-10-20(15-17)29-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyBEXXTPITNYQTKB-UHFFFAOYSA-N
XLogP3.59
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685715
4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596113
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
4-[methoxy(methyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 8927243
3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39576293
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4801676
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
4-[methoxy(methyl)sulfamoyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55534313
4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 46468515

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide (CID 39576422) is 4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide is CON(C)S(=O)(=O)c1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide?
The InChIKey is BEXXTPITNYQTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-24(28-2)30(26,27)21-13-11-18(12-14-21)22(25)23-16-17-7-6-10-20(15-17)29-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,23,25).
What are the key properties of 4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide?
4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide has a molecular weight of 426.49 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide is sourced from PubChem (CID 39576422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).