2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C26H29N3O4S — CID 26714040

IUPAC2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)c2)c1
InChIInChI=1S/C26H29N3O4S/c1-16-7-6-8-21(13-16)29-34(32,33)22-10-9-18(3)23(14-22)26(31)27-15-24(30)28-25-19(4)11-17(2)12-20(25)5/h6-14,29H,15H2,1-5H3,(H,27,31)(H,28,30)
InChIKeySSCJBVBTFRHBHE-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.40
Rot. Bonds7

About 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 26714040) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID26714040
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)c2)c1
InChIInChI=1S/C26H29N3O4S/c1-16-7-6-8-21(13-16)29-34(32,33)22-10-9-18(3)23(14-22)26(31)27-15-24(30)28-25-19(4)11-17(2)12-20(25)5/h6-14,29H,15H2,1-5H3,(H,27,31)(H,28,30)
InChIKeySSCJBVBTFRHBHE-UHFFFAOYSA-N
XLogP4.40
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783242
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
CID 30601752
propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56550990
N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 119405384
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
2-chloro-5-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713789
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 4995850
N-(furan-2-ylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 51160479
N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 78856387
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27760804
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 26714040) is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)c2)c1.
What is the InChIKey of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is SSCJBVBTFRHBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-16-7-6-8-21(13-16)29-34(32,33)22-10-9-18(3)23(14-22)26(31)27-15-24(30)28-25-19(4)11-17(2)12-20(25)5/h6-14,29H,15H2,1-5H3,(H,27,31)(H,28,30).
What are the key properties of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 479.60 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 26714040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).