N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

C19H24N2O4S — CID 17472832

IUPACN-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC(C)c2ccccc2OC)cc(C)c1C
InChIInChI=1S/C19H24N2O4S/c1-12-10-15(11-18(13(12)2)26(23,24)20-4)19(22)21-14(3)16-8-6-7-9-17(16)25-5/h6-11,14,20H,1-5H3,(H,21,22)
InChIKeyPBQXAWRONUMMLD-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.71
Rot. Bonds6

About N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 17472832) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
PubChem CID17472832
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC(C)c2ccccc2OC)cc(C)c1C
InChIInChI=1S/C19H24N2O4S/c1-12-10-15(11-18(13(12)2)26(23,24)20-4)19(22)21-14(3)16-8-6-7-9-17(16)25-5/h6-11,14,20H,1-5H3,(H,21,22)
InChIKeyPBQXAWRONUMMLD-UHFFFAOYSA-N
XLogP2.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 26001159
3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 27648157
N-[1-(2-chlorophenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 51163493
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 133163076
3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762358
3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 31001991
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 100588180
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 24544897
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 100619306
N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46520353
4-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbenzamide
CID 28558287
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (CID 17472832) is N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NC(C)c2ccccc2OC)cc(C)c1C.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is PBQXAWRONUMMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-12-10-15(11-18(13(12)2)26(23,24)20-4)19(22)21-14(3)16-8-6-7-9-17(16)25-5/h6-11,14,20H,1-5H3,(H,21,22).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 376.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 17472832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).