(2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate

C22H26N2O6S — CID 16531806

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N2CCOCC2)c(C)c1
InChIInChI=1S/C22H26N2O6S/c1-15-12-16(2)21(17(3)13-15)31(27,28)23-19-7-5-4-6-18(19)22(26)30-14-20(25)24-8-10-29-11-9-24/h4-7,12-13,23H,8-11,14H2,1-3H3
InChIKeyXKZQRVOETBTSQK-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.43
Rot. Bonds6

About (2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate

(2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate (PubChem CID 16531806) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
PubChem CID16531806
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N2CCOCC2)c(C)c1
InChIInChI=1S/C22H26N2O6S/c1-15-12-16(2)21(17(3)13-15)31(27,28)23-19-7-5-4-6-18(19)22(26)30-14-20(25)24-8-10-29-11-9-24/h4-7,12-13,23H,8-11,14H2,1-3H3
InChIKeyXKZQRVOETBTSQK-UHFFFAOYSA-N
XLogP2.43
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate with MolForge

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Related Compounds

cyanomethyl 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 16578360
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 2116604
2,4-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 31813143
(2-oxo-2-piperidin-1-ylethyl) 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2553372
(2-morpholin-4-yl-2-oxoethyl) 2-fluorobenzoate
CID 4287540
(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2611661
2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663268
2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16529275
(2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate
CID 23828684
ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate
CID 7740885
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 24530687

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate (CID 16531806) is (2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate is Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N2CCOCC2)c(C)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate?
The InChIKey is XKZQRVOETBTSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c1-15-12-16(2)21(17(3)13-15)31(27,28)23-19-7-5-4-6-18(19)22(26)30-14-20(25)24-8-10-29-11-9-24/h4-7,12-13,23H,8-11,14H2,1-3H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate?
(2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate has a molecular weight of 446.53 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 16531806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).