3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

C18H22N2O4S — CID 51254300

IUPAC3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCOCc1cccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H22N2O4S/c1-13(15-7-9-17(10-8-15)25(19,22)23)20(2)18(21)16-6-4-5-14(11-16)12-24-3/h4-11,13H,12H2,1-3H3,(H2,19,22,23)
InChIKeyKAIXJJRJADUSQC-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.31
Rot. Bonds6

About 3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 51254300) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID51254300
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCOCc1cccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H22N2O4S/c1-13(15-7-9-17(10-8-15)25(19,22)23)20(2)18(21)16-6-4-5-14(11-16)12-24-3/h4-11,13H,12H2,1-3H3,(H2,19,22,23)
InChIKeyKAIXJJRJADUSQC-UHFFFAOYSA-N
XLogP2.31
TPSA89.70 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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 41113907
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46642308
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 55385966
N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46699399
4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919954
N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 24612098
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (CID 51254300) is 3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is COCc1cccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is KAIXJJRJADUSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13(15-7-9-17(10-8-15)25(19,22)23)20(2)18(21)16-6-4-5-14(11-16)12-24-3/h4-11,13H,12H2,1-3H3,(H2,19,22,23).
What are the key properties of 3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 51254300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).