(2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide

C17H17FN2O3S — CID 95697173

IUPAC(2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide
SMILESCc1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)sc1-c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3S/c1-10-8-14(24-15(10)11-2-4-12(18)5-3-11)17(22)20-6-7-23-13(9-20)16(19)21/h2-5,8,13H,6-7,9H2,1H3,(H2,19,21)/t13-/m1/s1
InChIKeyPYIVWZXXUVECBF-CYBMUJFWSA-N
MW348.40 g/mol
LogP2.19
Rot. Bonds3

About (2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide

(2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide (PubChem CID 95697173) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is (2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide
PubChem CID95697173
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name(2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide
SMILESCc1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)sc1-c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3S/c1-10-8-14(24-15(10)11-2-4-12(18)5-3-11)17(22)20-6-7-23-13(9-20)16(19)21/h2-5,8,13H,6-7,9H2,1H3,(H2,19,21)/t13-/m1/s1
InChIKeyPYIVWZXXUVECBF-CYBMUJFWSA-N
XLogP2.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone;hydrochloride
CID 119934470
[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561560
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119375812
(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid
CID 124704099
[4-(ethylaminomethyl)piperidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119647261
N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119481536
[4-(3-aminopropoxy)piperidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119663842
[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 167866377
N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide
CID 79680609
4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carboxylic acid
CID 81115536
4-[3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide
CID 78905980
[4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 1244175

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide (CID 95697173) is (2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide is Cc1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)sc1-c1ccc(F)cc1.
What is the InChIKey of (2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide?
The InChIKey is PYIVWZXXUVECBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-10-8-14(24-15(10)11-2-4-12(18)5-3-11)17(22)20-6-7-23-13(9-20)16(19)21/h2-5,8,13H,6-7,9H2,1H3,(H2,19,21)/t13-/m1/s1.
What are the key properties of (2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide?
(2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide is sourced from PubChem (CID 95697173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).