3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid

C19H22ClNO4S — CID 20990784

IUPAC3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1cc(Cl)ccc1OCCN1CCOCC1)c1cccs1
InChIInChI=1S/C19H22ClNO4S/c20-15-3-4-17(25-10-7-21-5-8-24-9-6-21)14(12-15)13-16(19(22)23)18-2-1-11-26-18/h1-4,11-12,16H,5-10,13H2,(H,22,23)
InChIKeyMFAPUFNTKJGYEE-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.52
Rot. Bonds8

About 3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid

3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid (PubChem CID 20990784) has the molecular formula C19H22ClNO4S and a molecular weight of 395.91 g/mol. Its IUPAC name is 3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
PubChem CID20990784
Molecular FormulaC19H22ClNO4S
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC Name3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1cc(Cl)ccc1OCCN1CCOCC1)c1cccs1
InChIInChI=1S/C19H22ClNO4S/c20-15-3-4-17(25-10-7-21-5-8-24-9-6-21)14(12-15)13-16(19(22)23)18-2-1-11-26-18/h1-4,11-12,16H,5-10,13H2,(H,22,23)
InChIKeyMFAPUFNTKJGYEE-UHFFFAOYSA-N
XLogP3.52
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22681192
2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid
CID 20993638
N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883333
3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid
CID 20993535
2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid
CID 53487613
[4-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 114322345
(1R)-1-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 55189907
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
CID 54928974
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
3-(2-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83954608
1-[2-(4-chloro-2-prop-2-enylphenoxy)ethyl]-4-methylpiperazine;oxalic acid
CID 2924081

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid (CID 20990784) is 3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid is O=C(O)C(Cc1cc(Cl)ccc1OCCN1CCOCC1)c1cccs1.
What is the InChIKey of 3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid?
The InChIKey is MFAPUFNTKJGYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4S/c20-15-3-4-17(25-10-7-21-5-8-24-9-6-21)14(12-15)13-16(19(22)23)18-2-1-11-26-18/h1-4,11-12,16H,5-10,13H2,(H,22,23).
What are the key properties of 3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid?
3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid has a molecular weight of 395.91 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 20990784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).