3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide

C22H23N3O3S — CID 84554523

IUPAC3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C22H23N3O3S/c1-2-17-7-3-4-9-21(17)24-15-16-6-5-8-18(14-16)22(26)25-19-10-12-20(13-11-19)29(23,27)28/h3-14,24H,2,15H2,1H3,(H,25,26)(H2,23,27,28)
InChIKeyOGLCNWBWPKCAMU-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.76
Rot. Bonds7

About 3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide

3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide (PubChem CID 84554523) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide
PubChem CID84554523
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C22H23N3O3S/c1-2-17-7-3-4-9-21(17)24-15-16-6-5-8-18(14-16)22(26)25-19-10-12-20(13-11-19)29(23,27)28/h3-14,24H,2,15H2,1H3,(H,25,26)(H2,23,27,28)
InChIKeyOGLCNWBWPKCAMU-UHFFFAOYSA-N
XLogP3.76
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554562
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
[4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]phenyl] thiocyanate
CID 84554554
N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554489
3-[(2-ethylanilino)methyl]-N-(3-fluoro-4-nitrophenyl)benzamide
CID 84554658
3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide
CID 9035038
butyl 3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554578
N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554469
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-4-methylbenzoic acid
CID 84554573
2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid
CID 84556600
2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-methylbutanoic acid
CID 84556582

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide (CID 84554523) is 3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide is CCc1ccccc1NCc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is OGLCNWBWPKCAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-2-17-7-3-4-9-21(17)24-15-16-6-5-8-18(14-16)22(26)25-19-10-12-20(13-11-19)29(23,27)28/h3-14,24H,2,15H2,1H3,(H,25,26)(H2,23,27,28).
What are the key properties of 3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide?
3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 84554523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).