ethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate

C18H20N2O5S — CID 1314443

IUPACethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20N2O5S/c1-4-25-18(22)15-7-5-6-8-16(15)19-17(21)13-9-11-14(12-10-13)20(2)26(3,23)24/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyFQBDMANXBULLKD-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.51
Rot. Bonds6

About ethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate

ethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate (PubChem CID 1314443) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is ethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate
PubChem CID1314443
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Nameethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20N2O5S/c1-4-25-18(22)15-7-5-6-8-16(15)19-17(21)13-9-11-14(12-10-13)20(2)26(3,23)24/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyFQBDMANXBULLKD-UHFFFAOYSA-N
XLogP2.51
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[4-[methyl(methylsulfonyl)amino]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

Ethyl 4-(benzoylamino)benzoate
CID 12914
2-Fluorobenzyl 2-(acetylamino)benzoate
CID 1262491
Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133
N-(o-Carboxyphenyl)-2-oxo-1-phenyl-4-pyrrolidinecarboxamide
CID 217791
Methyl 2-benzamidobenzoate
CID 347181
Propyl 4-[(2-nitrobenzoyl)amino]benzoate
CID 2164898
[2-(Methylamino)-2-oxoethyl] 2-anilinobenzoate
CID 2420011
2-Phenylethyl 4-acetamidobenzoate
CID 2449194
Methyl 4-({[1-(methylsulfonyl)piperidin-3-yl]carbonyl}amino)benzoate
CID 4234809
Ethyl 2-(2-fluorobenzamido)benzoate
CID 579501
2-Methoxy-2-oxoethyl 2-(benzoylamino)benzoate
CID 708710
Methyl 2-(4-acetamidobenzenesulfonamido)benzoate
CID 726578

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate (CID 1314443) is ethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of ethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate?
The InChIKey is FQBDMANXBULLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-4-25-18(22)15-7-5-6-8-16(15)19-17(21)13-9-11-14(12-10-13)20(2)26(3,23)24/h5-12H,4H2,1-3H3,(H,19,21).
What are the key properties of ethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate?
ethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate has a molecular weight of 376.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate is sourced from PubChem (CID 1314443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).