3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide

C22H30N2O5S — CID 4849210

IUPAC3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C22H30N2O5S/c1-16-13-17(2)21(18(3)14-16)23-22(25)19-7-6-8-20(15-19)30(26,27)24(9-11-28-4)10-12-29-5/h6-8,13-15H,9-12H2,1-5H3,(H,23,25)
InChIKeyBSJKZRVVTKRBTJ-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.15
Rot. Bonds10

About 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide

3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 4849210) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID4849210
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C22H30N2O5S/c1-16-13-17(2)21(18(3)14-16)23-22(25)19-7-6-8-20(15-19)30(26,27)24(9-11-28-4)10-12-29-5/h6-8,13-15H,9-12H2,1-5H3,(H,23,25)
InChIKeyBSJKZRVVTKRBTJ-UHFFFAOYSA-N
XLogP3.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide
CID 8001344
N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide
CID 26200265
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
CID 61384452
3-(diethylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838749
1-N-(3-methoxypropyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109052749
3-(dipropylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26914144
3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109062953
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide
CID 9194405
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085984

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide (CID 4849210) is 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide is COCCN(CCOC)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is BSJKZRVVTKRBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-16-13-17(2)21(18(3)14-16)23-22(25)19-7-6-8-20(15-19)30(26,27)24(9-11-28-4)10-12-29-5/h6-8,13-15H,9-12H2,1-5H3,(H,23,25).
What are the key properties of 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide?
3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 434.56 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 4849210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).