3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide

C18H22N2O4S — CID 110295913

IUPAC3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H22N2O4S/c1-5-24-16-9-7-6-8-15(16)19-18(21)14-11-10-13(2)17(12-14)25(22,23)20(3)4/h6-12H,5H2,1-4H3,(H,19,21)
InChIKeyQRFOLDVDSSZXQD-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.90
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide

3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide (PubChem CID 110295913) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide
PubChem CID110295913
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H22N2O4S/c1-5-24-16-9-7-6-8-15(16)19-18(21)14-11-10-13(2)17(12-14)25(22,23)20(3)4/h6-12H,5H2,1-4H3,(H,19,21)
InChIKeyQRFOLDVDSSZXQD-UHFFFAOYSA-N
XLogP2.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591093
3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55887161
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 1260706
N-(2-ethoxyphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9192356
N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide
CID 1020106
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55508199
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
N-(2,4-difluorophenyl)-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295940
3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 5082468
1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155437
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
CID 126387173

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide (CID 110295913) is 3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide is CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide?
The InChIKey is QRFOLDVDSSZXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-5-24-16-9-7-6-8-15(16)19-18(21)14-11-10-13(2)17(12-14)25(22,23)20(3)4/h6-12H,5H2,1-4H3,(H,19,21).
What are the key properties of 3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide?
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide is sourced from PubChem (CID 110295913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).