4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide

C23H22N2O6S — CID 171979954

IUPAC4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)c2ccccc2)c(OC)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H22N2O6S/c1-30-20-13-19(21(31-2)12-18(20)22(26)16-6-4-3-5-7-16)23(27)25-14-15-8-10-17(11-9-15)32(24,28)29/h3-13H,14H2,1-2H3,(H,25,27)(H2,24,28,29)
InChIKeyABDGMVARDVIKOY-UHFFFAOYSA-N
MW454.50 g/mol
LogP2.51
Rot. Bonds8

About 4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide

4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 171979954) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is 4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID171979954
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC Name4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)c2ccccc2)c(OC)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H22N2O6S/c1-30-20-13-19(21(31-2)12-18(20)22(26)16-6-4-3-5-7-16)23(27)25-14-15-8-10-17(11-9-15)32(24,28)29/h3-13H,14H2,1-2H3,(H,25,27)(H2,24,28,29)
InChIKeyABDGMVARDVIKOY-UHFFFAOYSA-N
XLogP2.51
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
5-methoxy-2-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 146043450
4-methoxy-2,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110763175
2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2965713
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 9495729
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 55349817

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 171979954) is 4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide is COc1cc(C(=O)c2ccccc2)c(OC)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is ABDGMVARDVIKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-30-20-13-19(21(31-2)12-18(20)22(26)16-6-4-3-5-7-16)23(27)25-14-15-8-10-17(11-9-15)32(24,28)29/h3-13H,14H2,1-2H3,(H,25,27)(H2,24,28,29).
What are the key properties of 4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 454.50 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 171979954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).