N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide

C19H30N2O2S — CID 119938942

IUPACN-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)COc1ccc(C(C)(C)NC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C19H30N2O2S/c1-14(2)12-23-17-7-5-15(6-8-17)19(3,4)21-18(22)11-16-13-24-10-9-20-16/h5-8,14,16,20H,9-13H2,1-4H3,(H,21,22)
InChIKeyMUEXWVDUBLJOIE-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.17
Rot. Bonds7

About N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide

N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119938942) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID119938942
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC NameN-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)COc1ccc(C(C)(C)NC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C19H30N2O2S/c1-14(2)12-23-17-7-5-15(6-8-17)19(3,4)21-18(22)11-16-13-24-10-9-20-16/h5-8,14,16,20H,9-13H2,1-4H3,(H,21,22)
InChIKeyMUEXWVDUBLJOIE-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-methylpropoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938917
N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938128
N-[[3-(2-methylpropoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937835
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-2-pyrrolidin-2-ylacetamide
CID 119778688
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938117
N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119938284
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide
CID 119937858
2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride
CID 119779272
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
2-thiomorpholin-3-yl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119937740
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 114155796

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide (CID 119938942) is N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide is CC(C)COc1ccc(C(C)(C)NC(=O)CC2CSCCN2)cc1.
What is the InChIKey of N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is MUEXWVDUBLJOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-14(2)12-23-17-7-5-15(6-8-17)19(3,4)21-18(22)11-16-13-24-10-9-20-16/h5-8,14,16,20H,9-13H2,1-4H3,(H,21,22).
What are the key properties of N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide?
N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 350.53 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).