3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide

C22H30N2O4S — CID 55887161

IUPAC3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC(C)C)ccc1C
InChIInChI=1S/C22H30N2O4S/c1-6-24(7-2)29(26,27)21-14-18(13-12-17(21)5)22(25)23-19-10-8-9-11-20(19)28-15-16(3)4/h8-14,16H,6-7,15H2,1-5H3,(H,23,25)
InChIKeyVLAOMJSKKHUTIM-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.31
Rot. Bonds9

About 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide

3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide (PubChem CID 55887161) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide
PubChem CID55887161
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC(C)C)ccc1C
InChIInChI=1S/C22H30N2O4S/c1-6-24(7-2)29(26,27)21-14-18(13-12-17(21)5)22(25)23-19-10-8-9-11-20(19)28-15-16(3)4/h8-14,16H,6-7,15H2,1-5H3,(H,23,25)
InChIKeyVLAOMJSKKHUTIM-UHFFFAOYSA-N
XLogP4.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 26290598
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 110295913
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1379292
4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55888443
4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 8503404
N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 52707592
3-(diethylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 26414114
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzamide
CID 43073967
N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26243070
3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 5082468
3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55674283

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide (CID 55887161) is 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC(C)C)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide?
The InChIKey is VLAOMJSKKHUTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-6-24(7-2)29(26,27)21-14-18(13-12-17(21)5)22(25)23-19-10-8-9-11-20(19)28-15-16(3)4/h8-14,16H,6-7,15H2,1-5H3,(H,23,25).
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide?
3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide has a molecular weight of 418.56 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide is sourced from PubChem (CID 55887161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).