4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide

C18H22N2O6S — CID 1272637

IUPAC4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O6S/c1-20(2)27(22,23)14-8-6-12(7-9-14)18(21)19-13-10-15(24-3)17(26-5)16(11-13)25-4/h6-11H,1-5H3,(H,19,21)
InChIKeyXQNPWKZFNAPAAE-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.21
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide

4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 1272637) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID1272637
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O6S/c1-20(2)27(22,23)14-8-6-12(7-9-14)18(21)19-13-10-15(24-3)17(26-5)16(11-13)25-4/h6-11H,1-5H3,(H,19,21)
InChIKeyXQNPWKZFNAPAAE-UHFFFAOYSA-N
XLogP2.21
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102014
N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide
CID 2464580
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide
CID 28867109
4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 46646956
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 2676546
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8917840
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 2520365
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide (CID 1272637) is 4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is XQNPWKZFNAPAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-20(2)27(22,23)14-8-6-12(7-9-14)18(21)19-13-10-15(24-3)17(26-5)16(11-13)25-4/h6-11H,1-5H3,(H,19,21).
What are the key properties of 4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 394.45 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 1272637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).