2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide

C16H18N2O5S — CID 9495729

IUPAC2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide
SMILESCOc1cccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)c1
InChIInChI=1S/C16H18N2O5S/c1-22-12-5-3-4-11(8-12)10-18-16(19)14-9-13(24(17,20)21)6-7-15(14)23-2/h3-9H,10H2,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyXIXXCUMKENRIGI-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.28
Rot. Bonds6

About 2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide

2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide (PubChem CID 9495729) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide
PubChem CID9495729
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide
SMILESCOc1cccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)c1
InChIInChI=1S/C16H18N2O5S/c1-22-12-5-3-4-11(8-12)10-18-16(19)14-9-13(24(17,20)21)6-7-15(14)23-2/h3-9H,10H2,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyXIXXCUMKENRIGI-UHFFFAOYSA-N
XLogP1.28
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 16570421
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 55349817
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111249882
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 31233255
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine
CID 111249559
N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55947717

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide (CID 9495729) is 2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide is COc1cccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)c1.
What is the InChIKey of 2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide?
The InChIKey is XIXXCUMKENRIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-22-12-5-3-4-11(8-12)10-18-16(19)14-9-13(24(17,20)21)6-7-15(14)23-2/h3-9H,10H2,1-2H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide?
2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide has a molecular weight of 350.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 9495729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).