2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C19H24N2O2S — CID 95633368

IUPAC2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H24N2O2S/c1-20(15-18-8-5-11-24-18)19(22)12-17-14-21(9-10-23-17)13-16-6-3-2-4-7-16/h2-8,11,17H,9-10,12-15H2,1H3/t17-/m0/s1
InChIKeyRJHQJMJOTVTHQI-KRWDZBQOSA-N
MW344.48 g/mol
LogP3.00
Rot. Bonds6

About 2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 95633368) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID95633368
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H24N2O2S/c1-20(15-18-8-5-11-24-18)19(22)12-17-14-21(9-10-23-17)13-16-6-3-2-4-7-16/h2-8,11,17H,9-10,12-15H2,1H3/t17-/m0/s1
InChIKeyRJHQJMJOTVTHQI-KRWDZBQOSA-N
XLogP3.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylmorpholin-2-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 56794454
3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid
CID 119362755
2-(4-benzylmorpholin-2-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 91842855
N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide
CID 119582704
2-(4-benzylmorpholin-2-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596023
(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 124681649
(2R)-2-(2-phenylethyl)-4-(thiophen-2-ylmethyl)morpholine
CID 28767913
2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684363
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 95633368) is 2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is RJHQJMJOTVTHQI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-20(15-18-8-5-11-24-18)19(22)12-17-14-21(9-10-23-17)13-16-6-3-2-4-7-16/h2-8,11,17H,9-10,12-15H2,1H3/t17-/m0/s1.
What are the key properties of 2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 95633368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).