(3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate

C18H21NO5S2 — CID 8533259

IUPAC(3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate
SMILESO=C(CCc1cccs1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H21NO5S2/c20-18(7-6-16-4-2-12-25-16)24-14-15-3-1-5-17(13-15)26(21,22)19-8-10-23-11-9-19/h1-5,12-13H,6-11,14H2
InChIKeyUMYFCDCUBNHBQX-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.44
Rot. Bonds7

About (3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate

(3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate (PubChem CID 8533259) has the molecular formula C18H21NO5S2 and a molecular weight of 395.50 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate
PubChem CID8533259
Molecular FormulaC18H21NO5S2
Molecular Weight395.50 g/mol
Exact Mass395.09
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate
SMILESO=C(CCc1cccs1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H21NO5S2/c20-18(7-6-16-4-2-12-25-16)24-14-15-3-1-5-17(13-15)26(21,22)19-8-10-23-11-9-19/h1-5,12-13H,6-11,14H2
InChIKeyUMYFCDCUBNHBQX-UHFFFAOYSA-N
XLogP2.44
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate
CID 31647896
(3-morpholin-4-ylsulfonylphenyl)methyl 3-phenylsulfanylpropanoate
CID 8853648
(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate
CID 7750422
(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
CID 7783364
(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate
CID 8020326
(3-morpholin-4-ylsulfonylphenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 42988498
(3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 43015680
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
(3-morpholin-4-ylsulfonylphenyl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate
CID 42982212
(3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
CID 47012023
(3-morpholin-4-ylsulfonylphenyl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate
CID 42982189
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate (CID 8533259) is (3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate is O=C(CCc1cccs1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate?
The InChIKey is UMYFCDCUBNHBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S2/c20-18(7-6-16-4-2-12-25-16)24-14-15-3-1-5-17(13-15)26(21,22)19-8-10-23-11-9-19/h1-5,12-13H,6-11,14H2.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate?
(3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate has a molecular weight of 395.50 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate is sourced from PubChem (CID 8533259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).