N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C20H25ClN2O2S — CID 119935581

IUPACN-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C20H24N2O2S.ClH/c1-24-19-9-7-18(8-10-19)22(14-16-5-3-2-4-6-16)20(23)13-17-15-25-12-11-21-17;/h2-10,17,21H,11-15H2,1H3;1H
InChIKeyCMXWHJWAEYPWBY-UHFFFAOYSA-N
MW392.95 g/mol
LogP3.75
Rot. Bonds6

About N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935581) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935581
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC NameN-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C20H24N2O2S.ClH/c1-24-19-9-7-18(8-10-19)22(14-16-5-3-2-4-6-16)20(23)13-17-15-25-12-11-21-17;/h2-10,17,21H,11-15H2,1H3;1H
InChIKeyCMXWHJWAEYPWBY-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(4-methoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 119691210
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935607
N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934908
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422087
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936632
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936476
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935276
N-[3-(4-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937471
N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940107
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937075

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935581) is N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1ccc(N(Cc2ccccc2)C(=O)CC2CSCCN2)cc1.Cl.
What is the InChIKey of N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is CMXWHJWAEYPWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S.ClH/c1-24-19-9-7-18(8-10-19)22(14-16-5-3-2-4-6-16)20(23)13-17-15-25-12-11-21-17;/h2-10,17,21H,11-15H2,1H3;1H.
What are the key properties of N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 392.95 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).