3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide

C18H22N2O5S — CID 55551961

IUPAC3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1OCC
InChIInChI=1S/C18H22N2O5S/c1-3-24-16-10-7-14(11-17(16)25-4-2)18(21)20-15-8-5-13(6-9-15)12-26(19,22)23/h5-11H,3-4,12H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyJQXNAANNOZRKSP-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.52
Rot. Bonds8

About 3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide

3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide (PubChem CID 55551961) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide
PubChem CID55551961
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1OCC
InChIInChI=1S/C18H22N2O5S/c1-3-24-16-10-7-14(11-17(16)25-4-2)18(21)20-15-8-5-13(6-9-15)12-26(19,22)23/h5-11H,3-4,12H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyJQXNAANNOZRKSP-UHFFFAOYSA-N
XLogP2.52
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
CID 3487995
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55346054
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
4-fluoro-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24632207
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 9494456

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide (CID 55551961) is 3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide?
The InChIKey is JQXNAANNOZRKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-3-24-16-10-7-14(11-17(16)25-4-2)18(21)20-15-8-5-13(6-9-15)12-26(19,22)23/h5-11H,3-4,12H2,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of 3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide?
3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide is sourced from PubChem (CID 55551961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).