3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide

C22H22N2O4S — CID 39576293

IUPAC3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C22H22N2O4S/c1-2-24-29(26,27)21-13-7-9-18(15-21)22(25)23-16-17-8-6-12-20(14-17)28-19-10-4-3-5-11-19/h3-15,24H,2,16H2,1H3,(H,23,25)
InChIKeyZYLNBWTYZKWYER-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.71
Rot. Bonds8

About 3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide

3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide (PubChem CID 39576293) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
PubChem CID39576293
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C22H22N2O4S/c1-2-24-29(26,27)21-13-7-9-18(15-21)22(25)23-16-17-8-6-12-20(14-17)28-19-10-4-3-5-11-19/h3-15,24H,2,16H2,1H3,(H,23,25)
InChIKeyZYLNBWTYZKWYER-UHFFFAOYSA-N
XLogP3.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55714526
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712150
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide
CID 32965738
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39576422
4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479173
N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109064162
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 46468515

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide (CID 39576293) is 3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide is CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide?
The InChIKey is ZYLNBWTYZKWYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-2-24-29(26,27)21-13-7-9-18(15-21)22(25)23-16-17-8-6-12-20(14-17)28-19-10-4-3-5-11-19/h3-15,24H,2,16H2,1H3,(H,23,25).
What are the key properties of 3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide?
3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide is sourced from PubChem (CID 39576293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).