N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide

C22H22N2O3S — CID 26774002

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-9-14-20(28(26,27)24(2)3)15-21(16)23-22(25)19-12-10-18(11-13-19)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,23,25)
InChIKeyLBXPYPYBOXFABL-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.16
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide (PubChem CID 26774002) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
PubChem CID26774002
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-9-14-20(28(26,27)24(2)3)15-21(16)23-22(25)19-12-10-18(11-13-19)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,23,25)
InChIKeyLBXPYPYBOXFABL-UHFFFAOYSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
CID 26244337
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide
CID 30723480
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 3488603
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771568
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 99122318
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2812477
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5070509
1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 24593042

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide (CID 26774002) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide?
The InChIKey is LBXPYPYBOXFABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-9-14-20(28(26,27)24(2)3)15-21(16)23-22(25)19-12-10-18(11-13-19)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,23,25).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide has a molecular weight of 394.50 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide is sourced from PubChem (CID 26774002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).