ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate

C22H26N2O7S — CID 2513657

IUPACethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N2O7S/c1-3-31-22(26)17-6-4-5-7-18(17)23-21(25)15-16-8-9-19(29-2)20(14-16)32(27,28)24-10-12-30-13-11-24/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,25)
InChIKeyOCRKGEJOZFDSTH-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.07
Rot. Bonds8

About ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate

ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate (PubChem CID 2513657) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
PubChem CID2513657
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Nameethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N2O7S/c1-3-31-22(26)17-6-4-5-7-18(17)23-21(25)15-16-8-9-19(29-2)20(14-16)32(27,28)24-10-12-30-13-11-24/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,25)
InChIKeyOCRKGEJOZFDSTH-UHFFFAOYSA-N
XLogP2.07
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate (CID 2513657) is ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate?
The InChIKey is OCRKGEJOZFDSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-3-31-22(26)17-6-4-5-7-18(17)23-21(25)15-16-8-9-19(29-2)20(14-16)32(27,28)24-10-12-30-13-11-24/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,25).
What are the key properties of ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate?
ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate has a molecular weight of 462.52 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 2513657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).