3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

C18H22N2O5S — CID 51253856

IUPAC3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H22N2O5S/c1-12(13-5-7-17(8-6-13)26(19,22)23)20(2)18(21)14-9-15(24-3)11-16(10-14)25-4/h5-12H,1-4H3,(H2,19,22,23)
InChIKeyWNNPOLCHTXELNC-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.18
Rot. Bonds6

About 3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 51253856) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID51253856
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H22N2O5S/c1-12(13-5-7-17(8-6-13)26(19,22)23)20(2)18(21)14-9-15(24-3)11-16(10-14)25-4/h5-12H,1-4H3,(H2,19,22,23)
InChIKeyWNNPOLCHTXELNC-UHFFFAOYSA-N
XLogP2.18
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 42919947
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51254300
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
CID 86920278
N,3-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 34734892
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46642308
4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919954

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (CID 51253856) is 3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is COc1cc(OC)cc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is WNNPOLCHTXELNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-12(13-5-7-17(8-6-13)26(19,22)23)20(2)18(21)14-9-15(24-3)11-16(10-14)25-4/h5-12H,1-4H3,(H2,19,22,23).
What are the key properties of 3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 51253856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).