methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate

C20H24N2O5S — CID 2209012

IUPACmethyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
SMILESCCc1ccccc1N(CC(=O)Nc1cccc(C(=O)OC)c1C)S(C)(=O)=O
InChIInChI=1S/C20H24N2O5S/c1-5-15-9-6-7-12-18(15)22(28(4,25)26)13-19(23)21-17-11-8-10-16(14(17)2)20(24)27-3/h6-12H,5,13H2,1-4H3,(H,21,23)
InChIKeyZYIGVULIGDOWPV-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.75
Rot. Bonds7

About methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate

methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate (PubChem CID 2209012) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
PubChem CID2209012
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Namemethyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
SMILESCCc1ccccc1N(CC(=O)Nc1cccc(C(=O)OC)c1C)S(C)(=O)=O
InChIInChI=1S/C20H24N2O5S/c1-5-15-9-6-7-12-18(15)22(28(4,25)26)13-19(23)21-17-11-8-10-16(14(17)2)20(24)27-3/h6-12H,5,13H2,1-4H3,(H,21,23)
InChIKeyZYIGVULIGDOWPV-UHFFFAOYSA-N
XLogP2.75
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate 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-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 21372786
methyl 2-methyl-3-[[2-(N-methylsulfonylanilino)acetyl]amino]benzoate
CID 21372789
methyl 3-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 21371889
methyl 2-methyl-3-[[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 126270185
methyl 2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155909
methyl 3-[[2-(3,5-dichloro-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 126253872
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide
CID 21372752
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 2970076
methyl 3-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 2210187
N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154127
methyl 2-[[2-(2-cyano-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113157244

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate (CID 2209012) is methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate is CCc1ccccc1N(CC(=O)Nc1cccc(C(=O)OC)c1C)S(C)(=O)=O.
What is the InChIKey of methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate?
The InChIKey is ZYIGVULIGDOWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-5-15-9-6-7-12-18(15)22(28(4,25)26)13-19(23)21-17-11-8-10-16(14(17)2)20(24)27-3/h6-12H,5,13H2,1-4H3,(H,21,23).
What are the key properties of methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate?
methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate has a molecular weight of 404.49 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate is sourced from PubChem (CID 2209012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).