3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide

C22H22N2O4S — CID 4800647

IUPAC3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16-7-11-19(12-8-16)28-20-13-9-18(10-14-20)23-22(25)17-5-4-6-21(15-17)29(26,27)24(2)3/h4-15H,1-3H3,(H,23,25)
InChIKeyAKAMDJXFKWVKQW-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.29
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide

3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide (PubChem CID 4800647) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
PubChem CID4800647
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16-7-11-19(12-8-16)28-20-13-9-18(10-14-20)23-22(25)17-5-4-6-21(15-17)29(26,27)24(2)3/h4-15H,1-3H3,(H,23,25)
InChIKeyAKAMDJXFKWVKQW-UHFFFAOYSA-N
XLogP4.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-methylphenyl)benzamide
CID 2081686
3-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795483
3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 7925214
N,N-dimethyl-3-[2-(4-methylanilino)acetyl]benzenesulfonamide
CID 110824384
N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide
CID 110614688
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide
CID 158089819
3-(dimethylsulfamoyl)-N-(9H-fluoren-3-yl)benzamide
CID 8699331
N-[4-(ethylcarbamoyl)phenyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55802210

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide (CID 4800647) is 3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide is Cc1ccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)cc1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide?
The InChIKey is AKAMDJXFKWVKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-16-7-11-19(12-8-16)28-20-13-9-18(10-14-20)23-22(25)17-5-4-6-21(15-17)29(26,27)24(2)3/h4-15H,1-3H3,(H,23,25).
What are the key properties of 3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide?
3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide has a molecular weight of 410.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide is sourced from PubChem (CID 4800647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).