N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide

C17H26N2O2S — CID 119937162

IUPACN-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESCCCOCc1ccccc1CNC(=O)CC1CSCCN1
InChIInChI=1S/C17H26N2O2S/c1-2-8-21-12-15-6-4-3-5-14(15)11-19-17(20)10-16-13-22-9-7-18-16/h3-6,16,18H,2,7-13H2,1H3,(H,19,20)
InChIKeyQSUOMPXOYOZCTP-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.32
Rot. Bonds8

About N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide

N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119937162) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119937162
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESCCCOCc1ccccc1CNC(=O)CC1CSCCN1
InChIInChI=1S/C17H26N2O2S/c1-2-8-21-12-15-6-4-3-5-14(15)11-19-17(20)10-16-13-22-9-7-18-16/h3-6,16,18H,2,7-13H2,1H3,(H,19,20)
InChIKeyQSUOMPXOYOZCTP-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940864
N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119938875
N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119936439
N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935910
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734227
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[[2-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 61363866
2-(cyclopropylmethylamino)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734225
N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[[4-(phenoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936591

Frequently Asked Questions

What is the IUPAC name of N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide (CID 119937162) is N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide is CCCOCc1ccccc1CNC(=O)CC1CSCCN1.
What is the InChIKey of N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is QSUOMPXOYOZCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-2-8-21-12-15-6-4-3-5-14(15)11-19-17(20)10-16-13-22-9-7-18-16/h3-6,16,18H,2,7-13H2,1H3,(H,19,20).
What are the key properties of N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide?
N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 322.47 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).