[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate

C18H24N2O7S — CID 39964363

IUPAC[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
SMILESC[C@@H]1C[C@@H](OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C(=O)O1
InChIInChI=1S/C18H24N2O7S/c1-12-10-16(18(22)26-12)27-17(21)14-11-13(28(23,24)19(2)3)4-5-15(14)20-6-8-25-9-7-20/h4-5,11-12,16H,6-10H2,1-3H3/t12-,16-/m1/s1
InChIKeyFPOUAMONMMNAFO-MLGOLLRUSA-N
MW412.46 g/mol
LogP0.63
Rot. Bonds5

About [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate

[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate (PubChem CID 39964363) has the molecular formula C18H24N2O7S and a molecular weight of 412.46 g/mol. Its IUPAC name is [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Name[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
PubChem CID39964363
Molecular FormulaC18H24N2O7S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC Name[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
SMILESC[C@@H]1C[C@@H](OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C(=O)O1
InChIInChI=1S/C18H24N2O7S/c1-12-10-16(18(22)26-12)27-17(21)14-11-13(28(23,24)19(2)3)4-5-15(14)20-6-8-25-9-7-20/h4-5,11-12,16H,6-10H2,1-3H3/t12-,16-/m1/s1
InChIKeyFPOUAMONMMNAFO-MLGOLLRUSA-N
XLogP0.63
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate with MolForge

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Related Compounds

(1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 22109188
[(1S)-1-phenylethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 7883877
2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42983355
3-phenoxypropyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 55568899
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 7883894
N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400713
5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid
CID 68839577
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 25357041
[1-(3-chlorophenyl)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 22109208
[2-(3-methoxyphenyl)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42985820
[(3R,5S)-5-methyl-2-oxooxolan-3-yl] 4-chloro-3-(dimethylsulfamoyl)benzoate
CID 9453024
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The IUPAC name of [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate (CID 39964363) is [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate.
What is the SMILES notation for [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The canonical SMILES for [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate is C[C@@H]1C[C@@H](OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C(=O)O1.
What is the InChIKey of [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The InChIKey is FPOUAMONMMNAFO-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H24N2O7S/c1-12-10-16(18(22)26-12)27-17(21)14-11-13(28(23,24)19(2)3)4-5-15(14)20-6-8-25-9-7-20/h4-5,11-12,16H,6-10H2,1-3H3/t12-,16-/m1/s1.
What are the key properties of [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate has a molecular weight of 412.46 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 39964363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).