ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide

C24H28N2O3S — CID 142804944

IUPACethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCC.Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)c1
InChIInChI=1S/C22H22N2O3S.C2H6/c1-15-7-6-9-19(13-15)24-28(26,27)21-14-18(12-11-17(21)3)22(25)23-20-10-5-4-8-16(20)2;1-2/h4-14,24H,1-3H3,(H,23,25);1-2H3
InChIKeyOFIQPTBJOULVIN-UHFFFAOYSA-N
MW424.57 g/mol
LogP5.69
Rot. Bonds5

About ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide

ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 142804944) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Nameethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID142804944
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Nameethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCC.Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)c1
InChIInChI=1S/C22H22N2O3S.C2H6/c1-15-7-6-9-19(13-15)24-28(26,27)21-14-18(12-11-17(21)3)22(25)23-20-10-5-4-8-16(20)2;1-2/h4-14,24H,1-3H3,(H,23,25);1-2H3
InChIKeyOFIQPTBJOULVIN-UHFFFAOYSA-N
XLogP5.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide
CID 1081936
N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3249145
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3484763
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119627677
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414636
ethyl 4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 3610783
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946
N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126385435
N-[3-(4-tert-butylbenzoyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 43885864

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 142804944) is ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide is CC.Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)c1.
What is the InChIKey of ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is OFIQPTBJOULVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S.C2H6/c1-15-7-6-9-19(13-15)24-28(26,27)21-14-18(12-11-17(21)3)22(25)23-20-10-5-4-8-16(20)2;1-2/h4-14,24H,1-3H3,(H,23,25);1-2H3.
What are the key properties of ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 424.57 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 142804944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).