(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate

C23H27ClN2O6S — CID 43031545

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)ccc1Cl
InChIInChI=1S/C23H27ClN2O6S/c1-3-26(4-2)33(29,30)20-16-18(10-11-19(20)24)23(28)32-21(17-8-6-5-7-9-17)22(27)25-12-14-31-15-13-25/h5-11,16,21H,3-4,12-15H2,1-2H3
InChIKeyISAGOUSBVKPCHA-UHFFFAOYSA-N
MW495.00 g/mol
LogP3.13
Rot. Bonds8

About (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate (PubChem CID 43031545) has the molecular formula C23H27ClN2O6S and a molecular weight of 495.00 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate
PubChem CID43031545
Molecular FormulaC23H27ClN2O6S
Molecular Weight495.00 g/mol
Exact Mass494.13
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)ccc1Cl
InChIInChI=1S/C23H27ClN2O6S/c1-3-26(4-2)33(29,30)20-16-18(10-11-19(20)24)23(28)32-21(17-8-6-5-7-9-17)22(27)25-12-14-31-15-13-25/h5-11,16,21H,3-4,12-15H2,1-2H3
InChIKeyISAGOUSBVKPCHA-UHFFFAOYSA-N
XLogP3.13
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 43031541
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 8913702
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 7-chloro-1,3-benzodioxole-5-carboxylate
CID 51110254
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate
CID 18199494
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8913161
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
CID 18199101
4-chloro-3-(diethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 2326320
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate
CID 42936172

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate (CID 43031545) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)ccc1Cl.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate?
The InChIKey is ISAGOUSBVKPCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O6S/c1-3-26(4-2)33(29,30)20-16-18(10-11-19(20)24)23(28)32-21(17-8-6-5-7-9-17)22(27)25-12-14-31-15-13-25/h5-11,16,21H,3-4,12-15H2,1-2H3.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate has a molecular weight of 495.00 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 43031545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).