3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide

C24H26N2O5S — CID 43875279

IUPAC3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-16-20(11-8-12-21(16)26-32(28,29)19-9-6-5-7-10-19)24(27)25-17(2)18-13-14-22(30-3)23(15-18)31-4/h5-15,17,26H,1-4H3,(H,25,27)
InChIKeyVEISOFLUTBQGBL-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.30
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide

3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide (PubChem CID 43875279) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
PubChem CID43875279
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-16-20(11-8-12-21(16)26-32(28,29)19-9-6-5-7-10-19)24(27)25-17(2)18-13-14-22(30-3)23(15-18)31-4/h5-15,17,26H,1-4H3,(H,25,27)
InChIKeyVEISOFLUTBQGBL-UHFFFAOYSA-N
XLogP4.30
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide
CID 46764267
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875867
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 94020081
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 133161197
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 17329397
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 133165202
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 93486831
3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30379464
3-(benzenesulfonamido)-2-methyl-N-(2-phenylpropyl)benzamide
CID 133163880
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 40607885

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide (CID 43875279) is 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide is COc1ccc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1OC.
What is the InChIKey of 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide?
The InChIKey is VEISOFLUTBQGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-16-20(11-8-12-21(16)26-32(28,29)19-9-6-5-7-10-19)24(27)25-17(2)18-13-14-22(30-3)23(15-18)31-4/h5-15,17,26H,1-4H3,(H,25,27).
What are the key properties of 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide?
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide has a molecular weight of 454.55 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 43875279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).