2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid

C16H17NO5S — CID 120822318

IUPAC2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCOC(c3cccs3)C2)cc1C(=O)O
InChIInChI=1S/C16H17NO5S/c1-2-11-10(16(19)20)8-12(22-11)15(18)17-5-6-21-13(9-17)14-4-3-7-23-14/h3-4,7-8,13H,2,5-6,9H2,1H3,(H,19,20)
InChIKeySCJZEINIRBZMNR-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.82
Rot. Bonds4

About 2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid

2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid (PubChem CID 120822318) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid
PubChem CID120822318
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCOC(c3cccs3)C2)cc1C(=O)O
InChIInChI=1S/C16H17NO5S/c1-2-11-10(16(19)20)8-12(22-11)15(18)17-5-6-21-13(9-17)14-4-3-7-23-14/h3-4,7-8,13H,2,5-6,9H2,1H3,(H,19,20)
InChIKeySCJZEINIRBZMNR-UHFFFAOYSA-N
XLogP2.82
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119308311
5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120820566
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120821717
2-(cyclopropylmethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone
CID 119757315
1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid
CID 124701077
2-ethyl-5-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]furan-3-carboxylic acid
CID 120821164
4-[(2-thiophen-2-ylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024352
(4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 97099734
2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid
CID 120822175
2-[4-(4,5-diethylfuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 120687888

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid (CID 120822318) is 2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid is CCc1oc(C(=O)N2CCOC(c3cccs3)C2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid?
The InChIKey is SCJZEINIRBZMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-2-11-10(16(19)20)8-12(22-11)15(18)17-5-6-21-13(9-17)14-4-3-7-23-14/h3-4,7-8,13H,2,5-6,9H2,1H3,(H,19,20).
What are the key properties of 2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid?
2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid has a molecular weight of 335.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-thiophen-2-ylmorpholine-4-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 120822318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).