N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide

C21H28N2O5S — CID 26826237

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1OC
InChIInChI=1S/C21H28N2O5S/c1-15(2)22-29(25,26)18-8-6-7-17(14-18)21(24)23(3)12-11-16-9-10-19(27-4)20(13-16)28-5/h6-10,13-15,22H,11-12H2,1-5H3
InChIKeyHGTMRZTWMMSYNQ-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.71
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 26826237) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID26826237
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1OC
InChIInChI=1S/C21H28N2O5S/c1-15(2)22-29(25,26)18-8-6-7-17(14-18)21(24)23(3)12-11-16-9-10-19(27-4)20(13-16)28-5/h6-10,13-15,22H,11-12H2,1-5H3
InChIKeyHGTMRZTWMMSYNQ-UHFFFAOYSA-N
XLogP2.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 26826251
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9468496
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26826181
4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
CID 38009998
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 42695653
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 38038012
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
CID 9468502
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 18111551
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26960465
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26994635
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26619244
2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
CID 30125477

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide (CID 26826237) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(CCN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is HGTMRZTWMMSYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-15(2)22-29(25,26)18-8-6-7-17(14-18)21(24)23(3)12-11-16-9-10-19(27-4)20(13-16)28-5/h6-10,13-15,22H,11-12H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 420.53 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 26826237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).