ethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate

C18H25NO6S — CID 54545001

IUPACethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)CS(=O)(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C18H25NO6S/c1-2-25-18(21)16(12-15-6-4-3-5-7-15)13-26(22,23)14-17(20)19-8-10-24-11-9-19/h3-7,16H,2,8-14H2,1H3
InChIKeyZFXDPZKCJNGZLF-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.68
Rot. Bonds8

About ethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate

ethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate (PubChem CID 54545001) has the molecular formula C18H25NO6S and a molecular weight of 383.47 g/mol. Its IUPAC name is ethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate.

Molecular Properties

Compound Nameethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate
PubChem CID54545001
Molecular FormulaC18H25NO6S
Molecular Weight383.47 g/mol
Exact Mass383.14
IUPAC Nameethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)CS(=O)(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C18H25NO6S/c1-2-25-18(21)16(12-15-6-4-3-5-7-15)13-26(22,23)14-17(20)19-8-10-24-11-9-19/h3-7,16H,2,8-14H2,1H3
InChIKeyZFXDPZKCJNGZLF-UHFFFAOYSA-N
XLogP0.68
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2S)-2-benzyl-3-tert-butylsulfonylpropanoate
CID 129362859
diethyl (2S)-2-benzylbutanedioate
CID 24748926
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]propane-1-sulfonamide
CID 110347269
(3R)-3-benzyl-4-ethoxy-4-oxobutanoic acid
CID 15021598
ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate
CID 56513208
ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate
CID 94215480
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one
CID 131907306
ethyl 2-benzyl-8-(oxan-4-yloxy)octanoate
CID 134916660
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
CID 70053583

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate?
The IUPAC name of ethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate (CID 54545001) is ethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate.
What is the SMILES notation for ethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate?
The canonical SMILES for ethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate is CCOC(=O)C(Cc1ccccc1)CS(=O)(=O)CC(=O)N1CCOCC1.
What is the InChIKey of ethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate?
The InChIKey is ZFXDPZKCJNGZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6S/c1-2-25-18(21)16(12-15-6-4-3-5-7-15)13-26(22,23)14-17(20)19-8-10-24-11-9-19/h3-7,16H,2,8-14H2,1H3.
What are the key properties of ethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate?
ethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate has a molecular weight of 383.47 g/mol, XLogP of 0.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate is sourced from PubChem (CID 54545001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).