(2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide

C18H22N2O3S — CID 124508136

IUPAC(2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)[C@H]2CN(C)CCO2)cc1
InChIInChI=1S/C18H22N2O3S/c1-19-9-10-23-17(13-19)18(21)20(12-16-4-3-11-24-16)14-5-7-15(22-2)8-6-14/h3-8,11,17H,9-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyGZYFXKGRABXIRT-QGZVFWFLSA-N
MW346.45 g/mol
LogP2.62
Rot. Bonds5

About (2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide

(2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide (PubChem CID 124508136) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
PubChem CID124508136
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)[C@H]2CN(C)CCO2)cc1
InChIInChI=1S/C18H22N2O3S/c1-19-9-10-23-17(13-19)18(21)20(12-16-4-3-11-24-16)14-5-7-15(22-2)8-6-14/h3-8,11,17H,9-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyGZYFXKGRABXIRT-QGZVFWFLSA-N
XLogP2.62
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134012847
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757398
cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519
(3S)-1-cyclopentyl-N-(4-methoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 9119491
N-(4-methoxyphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8693164
1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55622862
[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 9347668
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17421377
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 76858086
N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119688269
N-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 35041458
N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 25363216

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide (CID 124508136) is (2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide is COc1ccc(N(Cc2cccs2)C(=O)[C@H]2CN(C)CCO2)cc1.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
The InChIKey is GZYFXKGRABXIRT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-19-9-10-23-17(13-19)18(21)20(12-16-4-3-11-24-16)14-5-7-15(22-2)8-6-14/h3-8,11,17H,9-10,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
(2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 124508136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).