methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate

C19H22N2O5S — CID 2676516

IUPACmethyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-4-21(5-2)27(24,25)17-11-9-14(10-12-17)18(22)20-16-8-6-7-15(13-16)19(23)26-3/h6-13H,4-5H2,1-3H3,(H,20,22)
InChIKeyGXWIZOHVXDIDCG-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.76
Rot. Bonds7

About methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate

methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate (PubChem CID 2676516) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
PubChem CID2676516
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Namemethyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-4-21(5-2)27(24,25)17-11-9-14(10-12-17)18(22)20-16-8-6-7-15(13-16)19(23)26-3/h6-13H,4-5H2,1-3H3,(H,20,22)
InChIKeyGXWIZOHVXDIDCG-UHFFFAOYSA-N
XLogP2.76
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 2676546
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide
CID 36666715
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate
CID 8705374
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307
[3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate
CID 1250260
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 9341770

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate (CID 2676516) is methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate?
The InChIKey is GXWIZOHVXDIDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-21(5-2)27(24,25)17-11-9-14(10-12-17)18(22)20-16-8-6-7-15(13-16)19(23)26-3/h6-13H,4-5H2,1-3H3,(H,20,22).
What are the key properties of methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate?
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate has a molecular weight of 390.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 2676516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).