4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide

C26H29N3O4S — CID 126413403

IUPAC4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1C
InChIInChI=1S/C26H29N3O4S/c1-17(2)16-27-26(31)21-10-6-8-12-23(21)28-25(30)20-14-13-19(4)24(15-20)34(32,33)29-22-11-7-5-9-18(22)3/h5-15,17,29H,16H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyMHBCVVJSYSYYAJ-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.74
Rot. Bonds8

About 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide

4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide (PubChem CID 126413403) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
PubChem CID126413403
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1C
InChIInChI=1S/C26H29N3O4S/c1-17(2)16-27-26(31)21-10-6-8-12-23(21)28-25(30)20-14-13-19(4)24(15-20)34(32,33)29-22-11-7-5-9-18(22)3/h5-15,17,29H,16H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyMHBCVVJSYSYYAJ-UHFFFAOYSA-N
XLogP4.74
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4303867
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3581351
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 1318988
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 126413495
2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92643139
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4234401
2-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 126118795
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 5035675
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 126415438

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide (CID 126413403) is 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1C.
What is the InChIKey of 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide?
The InChIKey is MHBCVVJSYSYYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-17(2)16-27-26(31)21-10-6-8-12-23(21)28-25(30)20-14-13-19(4)24(15-20)34(32,33)29-22-11-7-5-9-18(22)3/h5-15,17,29H,16H2,1-4H3,(H,27,31)(H,28,30).
What are the key properties of 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide?
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide has a molecular weight of 479.60 g/mol, XLogP of 4.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 126413403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).