(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide

C19H22FN3O3S — CID 95867579

IUPAC(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
SMILESCc1ccc(NC(=O)C[C@@H]2COCCN2C(=O)NCc2cccs2)cc1F
InChIInChI=1S/C19H22FN3O3S/c1-13-4-5-14(9-17(13)20)22-18(24)10-15-12-26-7-6-23(15)19(25)21-11-16-3-2-8-27-16/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyXCFMXVVWQQZLNP-OAHLLOKOSA-N
MW391.47 g/mol
LogP3.13
Rot. Bonds5

About (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide

(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide (PubChem CID 95867579) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
PubChem CID95867579
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
SMILESCc1ccc(NC(=O)C[C@@H]2COCCN2C(=O)NCc2cccs2)cc1F
InChIInChI=1S/C19H22FN3O3S/c1-13-4-5-14(9-17(13)20)22-18(24)10-15-12-26-7-6-23(15)19(25)21-11-16-3-2-8-27-16/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyXCFMXVVWQQZLNP-OAHLLOKOSA-N
XLogP3.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide with MolForge

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Related Compounds

ethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906338
(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 96535699
N-(3-ethoxyphenyl)-2-[4-(thiophene-2-carbonyl)morpholin-3-yl]acetamide
CID 56908629
(3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide
CID 95967466
(2R)-N-(3-fluoro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550933
3-ethyl-N-(2-methyl-3-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 71867990
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909809
5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid
CID 61202010
N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 30645182
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 17395086

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide (CID 95867579) is (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide is Cc1ccc(NC(=O)C[C@@H]2COCCN2C(=O)NCc2cccs2)cc1F.
What is the InChIKey of (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide?
The InChIKey is XCFMXVVWQQZLNP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-13-4-5-14(9-17(13)20)22-18(24)10-15-12-26-7-6-23(15)19(25)21-11-16-3-2-8-27-16/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,21,25)(H,22,24)/t15-/m1/s1.
What are the key properties of (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide?
(3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 95867579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).