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

C18H22N2O4S — CID 51253829

IUPAC4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-16-9-5-15(6-10-16)18(21)20(3)13(2)14-7-11-17(12-8-14)25(19,22)23/h5-13H,4H2,1-3H3,(H2,19,22,23)
InChIKeyPVWARIWCKNYEKW-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.57
Rot. Bonds6

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

4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 51253829) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID51253829
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-16-9-5-15(6-10-16)18(21)20(3)13(2)14-7-11-17(12-8-14)25(19,22)23/h5-13H,4H2,1-3H3,(H2,19,22,23)
InChIKeyPVWARIWCKNYEKW-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919954
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46642308
2-(4-chlorophenoxy)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253861
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46699399
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide
CID 86783260
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51254300

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (CID 51253829) is 4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is CCOc1ccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is PVWARIWCKNYEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-16-9-5-15(6-10-16)18(21)20(3)13(2)14-7-11-17(12-8-14)25(19,22)23/h5-13H,4H2,1-3H3,(H2,19,22,23).
What are the key properties of 4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 51253829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).