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

C21H28N2O5S — CID 8001344

IUPAC3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C21H28N2O5S/c1-16-8-9-20(17(2)14-16)22-21(24)18-6-5-7-19(15-18)29(25,26)23(10-12-27-3)11-13-28-4/h5-9,14-15H,10-13H2,1-4H3,(H,22,24)
InChIKeyXSIUXEUPGZRSGJ-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.84
Rot. Bonds10

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

3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide (PubChem CID 8001344) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide
PubChem CID8001344
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C21H28N2O5S/c1-16-8-9-20(17(2)14-16)22-21(24)18-6-5-7-19(15-18)29(25,26)23(10-12-27-3)11-13-28-4/h5-9,14-15H,10-13H2,1-4H3,(H,22,24)
InChIKeyXSIUXEUPGZRSGJ-UHFFFAOYSA-N
XLogP2.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 4849210
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2600003
3-(dipropylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26914144
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
CID 61384452
4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-[4-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4136881
N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide
CID 26200265
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
1-N-(2,4-dimethylphenyl)-3-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 109057155

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide?
The IUPAC name of 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide (CID 8001344) is 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide?
The canonical SMILES for 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide is COCCN(CCOC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide?
The InChIKey is XSIUXEUPGZRSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-16-8-9-20(17(2)14-16)22-21(24)18-6-5-7-19(15-18)29(25,26)23(10-12-27-3)11-13-28-4/h5-9,14-15H,10-13H2,1-4H3,(H,22,24).
What are the key properties of 3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide?
3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide has a molecular weight of 420.53 g/mol, XLogP of 2.84, 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-dimethylphenyl)benzamide is sourced from PubChem (CID 8001344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).