N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C18H29ClN2O2S — CID 119940167

IUPACN-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccc(CNC(=O)CC2CSCCN2)c(OC(C)(C)C)c1.Cl
InChIInChI=1S/C18H28N2O2S.ClH/c1-13-5-6-14(16(9-13)22-18(2,3)4)11-20-17(21)10-15-12-23-8-7-19-15;/h5-6,9,15,19H,7-8,10-12H2,1-4H3,(H,20,21);1H
InChIKeyYWQWXEBHUNNPOO-UHFFFAOYSA-N
MW372.96 g/mol
LogP3.31
Rot. Bonds5

About N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119940167) has the molecular formula C18H29ClN2O2S and a molecular weight of 372.96 g/mol. Its IUPAC name is N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119940167
Molecular FormulaC18H29ClN2O2S
Molecular Weight372.96 g/mol
Exact Mass372.16
IUPAC NameN-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccc(CNC(=O)CC2CSCCN2)c(OC(C)(C)C)c1.Cl
InChIInChI=1S/C18H28N2O2S.ClH/c1-13-5-6-14(16(9-13)22-18(2,3)4)11-20-17(21)10-15-12-23-8-7-19-15;/h5-6,9,15,19H,7-8,10-12H2,1-4H3,(H,20,21);1H
InChIKeyYWQWXEBHUNNPOO-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.96
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119811513
N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940162
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939815
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 146134018
N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935910
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938870
N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114700218
N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119936439
1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 106871284

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119940167) is N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cc1ccc(CNC(=O)CC2CSCCN2)c(OC(C)(C)C)c1.Cl.
What is the InChIKey of N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is YWQWXEBHUNNPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S.ClH/c1-13-5-6-14(16(9-13)22-18(2,3)4)11-20-17(21)10-15-12-23-8-7-19-15;/h5-6,9,15,19H,7-8,10-12H2,1-4H3,(H,20,21);1H.
What are the key properties of N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 372.96 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119940167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).