(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate

C21H24N2O6S — CID 22830492

IUPAC(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H24N2O6S/c1-16-5-2-3-8-19(16)21(25)22-14-20(24)29-15-17-6-4-7-18(13-17)30(26,27)23-9-11-28-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)
InChIKeyKBSJQIVZLZVFOC-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.49
Rot. Bonds7

About (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate

(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate (PubChem CID 22830492) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate
PubChem CID22830492
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H24N2O6S/c1-16-5-2-3-8-19(16)21(25)22-14-20(24)29-15-17-6-4-7-18(13-17)30(26,27)23-9-11-28-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)
InChIKeyKBSJQIVZLZVFOC-UHFFFAOYSA-N
XLogP1.49
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
CID 7783364
benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
CID 24643713
(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
CID 7811749
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
(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 3-phenylsulfanylpropanoate
CID 8853648
(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate
CID 31647896
(3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
CID 47012023
(3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate
CID 29382847
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885940
(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate
CID 8020326

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate (CID 22830492) is (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate is Cc1ccccc1C(=O)NCC(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate?
The InChIKey is KBSJQIVZLZVFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-16-5-2-3-8-19(16)21(25)22-14-20(24)29-15-17-6-4-7-18(13-17)30(26,27)23-9-11-28-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H,22,25).
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate?
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate has a molecular weight of 432.50 g/mol, XLogP of 1.49, 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-[(2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 22830492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).