N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide

C22H22N2O3S — CID 9368880

IUPACN-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-8-6-7-9-19(17)16-24(2)22(25)18-12-14-21(15-13-18)28(26,27)23-20-10-4-3-5-11-20/h3-15,23H,16H2,1-2H3
InChIKeyWEWINQMHDZCUKZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.07
Rot. Bonds6

About N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide

N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide (PubChem CID 9368880) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
PubChem CID9368880
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-8-6-7-9-19(17)16-24(2)22(25)18-12-14-21(15-13-18)28(26,27)23-20-10-4-3-5-11-20/h3-15,23H,16H2,1-2H3
InChIKeyWEWINQMHDZCUKZ-UHFFFAOYSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26558348
N-methyl-N-[(2-methylphenyl)methyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26558363
4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 51098556
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9227970
N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
CID 26594107
4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 24551665
4-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62175917
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
N-methyl-4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020403
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide
CID 26419057
N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide
CID 38579965

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide (CID 9368880) is N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide is Cc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide?
The InChIKey is WEWINQMHDZCUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-17-8-6-7-9-19(17)16-24(2)22(25)18-12-14-21(15-13-18)28(26,27)23-20-10-4-3-5-11-20/h3-15,23H,16H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide?
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 9368880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).