N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C17H27ClN2O2S — CID 119938117

IUPACN-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-17(2,13-4-6-15(21-3)7-5-13)12-19-16(20)10-14-11-22-9-8-18-14;/h4-7,14,18H,8-12H2,1-3H3,(H,19,20);1H
InChIKeyNCOFBBJSTOCNHE-UHFFFAOYSA-N
MW358.94 g/mol
LogP2.61
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119938117) has the molecular formula C17H27ClN2O2S and a molecular weight of 358.94 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119938117
Molecular FormulaC17H27ClN2O2S
Molecular Weight358.94 g/mol
Exact Mass358.15
IUPAC NameN-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-17(2,13-4-6-15(21-3)7-5-13)12-19-16(20)10-14-11-22-9-8-18-14;/h4-7,14,18H,8-12H2,1-3H3,(H,19,20);1H
InChIKeyNCOFBBJSTOCNHE-UHFFFAOYSA-N
XLogP2.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938870
N-[3-(4-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937471
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119938182
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119939575
N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940336
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939815
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119935770
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938942

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119938117) is N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1ccc(C(C)(C)CNC(=O)CC2CSCCN2)cc1.Cl.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is NCOFBBJSTOCNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S.ClH/c1-17(2,13-4-6-15(21-3)7-5-13)12-19-16(20)10-14-11-22-9-8-18-14;/h4-7,14,18H,8-12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 358.94 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119938117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).