(1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate

C19H28N2O6S — CID 55320395

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H28N2O6S/c1-5-21(6-2)28(24,25)16-8-7-14(3)17(13-16)19(23)27-15(4)18(22)20-9-11-26-12-10-20/h7-8,13,15H,5-6,9-12H2,1-4H3
InChIKeyBYSDIRBJBYHQPF-UHFFFAOYSA-N
MW412.51 g/mol
LogP1.43
Rot. Bonds7

About (1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate

(1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate (PubChem CID 55320395) has the molecular formula C19H28N2O6S and a molecular weight of 412.51 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate
PubChem CID55320395
Molecular FormulaC19H28N2O6S
Molecular Weight412.51 g/mol
Exact Mass412.17
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H28N2O6S/c1-5-21(6-2)28(24,25)16-8-7-14(3)17(13-16)19(23)27-15(4)18(22)20-9-11-26-12-10-20/h7-8,13,15H,5-6,9-12H2,1-4H3
InChIKeyBYSDIRBJBYHQPF-UHFFFAOYSA-N
XLogP1.43
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 55320301
3-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-N,N-diethyl-4-methylbenzenesulfonamide
CID 131962993
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 55316125
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 26476429
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 26476427
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-4-methylbenzenesulfonamide;hydrochloride
CID 119517905
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 3646938
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 40613858
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-chloro-5-nitrobenzoate
CID 46790477
[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 7902012
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 7902053
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16528820

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate (CID 55320395) is (1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C(=O)N2CCOCC2)c1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate?
The InChIKey is BYSDIRBJBYHQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6S/c1-5-21(6-2)28(24,25)16-8-7-14(3)17(13-16)19(23)27-15(4)18(22)20-9-11-26-12-10-20/h7-8,13,15H,5-6,9-12H2,1-4H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate has a molecular weight of 412.51 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 55320395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).