3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

C24H33N3O3S — CID 99971355

IUPAC3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC3CCN(C)CC3)ccc2C)cc1C
InChIInChI=1S/C24H33N3O3S/c1-17-6-8-22(15-19(17)3)26-31(29,30)23-16-21(7-5-18(23)2)24(28)25-12-9-20-10-13-27(4)14-11-20/h5-8,15-16,20,26H,9-14H2,1-4H3,(H,25,28)
InChIKeyWRGDKTVPGVSFED-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.87
Rot. Bonds7

About 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (PubChem CID 99971355) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
PubChem CID99971355
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC3CCN(C)CC3)ccc2C)cc1C
InChIInChI=1S/C24H33N3O3S/c1-17-6-8-22(15-19(17)3)26-31(29,30)23-16-21(7-5-18(23)2)24(28)25-12-9-20-10-13-27(4)14-11-20/h5-8,15-16,20,26H,9-14H2,1-4H3,(H,25,28)
InChIKeyWRGDKTVPGVSFED-UHFFFAOYSA-N
XLogP3.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3920439
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99971504
3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114516650
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99972490
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55724690
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126414743
5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
CID 115618153
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 31098428

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (CID 99971355) is 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC3CCN(C)CC3)ccc2C)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is WRGDKTVPGVSFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-17-6-8-22(15-19(17)3)26-31(29,30)23-16-21(7-5-18(23)2)24(28)25-12-9-20-10-13-27(4)14-11-20/h5-8,15-16,20,26H,9-14H2,1-4H3,(H,25,28).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 443.61 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 99971355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).