(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate

C20H22N2O6S — CID 7783364

IUPAC(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22N2O6S/c23-19(14-21-20(24)17-6-2-1-3-7-17)28-15-16-5-4-8-18(13-16)29(25,26)22-9-11-27-12-10-22/h1-8,13H,9-12,14-15H2,(H,21,24)
InChIKeyBHMUYBLHOROJPM-UHFFFAOYSA-N
MW418.47 g/mol
LogP1.18
Rot. Bonds7

About (3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate

(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate (PubChem CID 7783364) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
PubChem CID7783364
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22N2O6S/c23-19(14-21-20(24)17-6-2-1-3-7-17)28-15-16-5-4-8-18(13-16)29(25,26)22-9-11-27-12-10-22/h1-8,13H,9-12,14-15H2,(H,21,24)
InChIKeyBHMUYBLHOROJPM-UHFFFAOYSA-N
XLogP1.18
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate 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

(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate
CID 22830492
benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
CID 24643713
(3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
CID 47012023
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
(3-morpholin-4-ylsulfonylphenyl)methyl 3-phenylsulfanylpropanoate
CID 8853648
(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate
CID 7750422
(3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate
CID 8533259
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate
CID 8020326
N-[(2R)-2-hydroxy-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 1256857
(3-morpholin-4-ylsulfonylphenyl)methyl 3,5-diacetamidobenzoate
CID 29358656
2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824752

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate (CID 7783364) is (3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate?
The InChIKey is BHMUYBLHOROJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c23-19(14-21-20(24)17-6-2-1-3-7-17)28-15-16-5-4-8-18(13-16)29(25,26)22-9-11-27-12-10-22/h1-8,13H,9-12,14-15H2,(H,21,24).
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate?
(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate has a molecular weight of 418.47 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate is sourced from PubChem (CID 7783364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).