(2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid

C17H15NO5S — CID 125152797

IUPAC(2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid
SMILESO=C(c1cccs1)c1ccccc1C(=O)N1CCO[C@@H](C(=O)O)C1
InChIInChI=1S/C17H15NO5S/c19-15(14-6-3-9-24-14)11-4-1-2-5-12(11)16(20)18-7-8-23-13(10-18)17(21)22/h1-6,9,13H,7-8,10H2,(H,21,22)/t13-/m1/s1
InChIKeyQMUYIUUQDAYRDI-CYBMUJFWSA-N
MW345.38 g/mol
LogP1.90
Rot. Bonds4

About (2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid

(2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid (PubChem CID 125152797) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is (2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid
PubChem CID125152797
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name(2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid
SMILESO=C(c1cccs1)c1ccccc1C(=O)N1CCO[C@@H](C(=O)O)C1
InChIInChI=1S/C17H15NO5S/c19-15(14-6-3-9-24-14)11-4-1-2-5-12(11)16(20)18-7-8-23-13(10-18)17(21)22/h1-6,9,13H,7-8,10H2,(H,21,22)/t13-/m1/s1
InChIKeyQMUYIUUQDAYRDI-CYBMUJFWSA-N
XLogP1.90
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119579880
[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]-thiophen-2-ylmethanone
CID 9489927
[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-thiophen-2-ylmethanone
CID 55677746
4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid
CID 119239024
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634
(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 129466190
4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239890
(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 125154179
(3aS,7aS)-2-[2-(thiophene-2-carbonyl)benzoyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628656
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119398089
4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid (CID 125152797) is (2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid is O=C(c1cccs1)c1ccccc1C(=O)N1CCO[C@@H](C(=O)O)C1.
What is the InChIKey of (2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid?
The InChIKey is QMUYIUUQDAYRDI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15NO5S/c19-15(14-6-3-9-24-14)11-4-1-2-5-12(11)16(20)18-7-8-23-13(10-18)17(21)22/h1-6,9,13H,7-8,10H2,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid?
(2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid has a molecular weight of 345.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125152797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).