N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide

C17H26N2O2S — CID 119937369

IUPACN-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCCOCCc1ccccc1
InChIInChI=1S/C17H26N2O2S/c20-17(13-16-14-22-12-9-18-16)19-8-4-10-21-11-7-15-5-2-1-3-6-15/h1-3,5-6,16,18H,4,7-14H2,(H,19,20)
InChIKeyBJQBYJINTRAAQD-UHFFFAOYSA-N
MW322.47 g/mol
LogP1.85
Rot. Bonds9

About N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide

N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119937369) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119937369
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCCOCCc1ccccc1
InChIInChI=1S/C17H26N2O2S/c20-17(13-16-14-22-12-9-18-16)19-8-4-10-21-11-7-15-5-2-1-3-6-15/h1-3,5-6,16,18H,4,7-14H2,(H,19,20)
InChIKeyBJQBYJINTRAAQD-UHFFFAOYSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 51.85
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-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119739702
N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119936943
N-[3-(2-methylphenoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938657
4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
N-[3-(4-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937471
N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938649
N-(4-ethoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 119936743
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
3-phenylpropyl 2-thiomorpholin-3-ylacetate
CID 66443916
N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420493
N-(3-cyclopentyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938129

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide (CID 119937369) is N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCCOCCc1ccccc1.
What is the InChIKey of N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is BJQBYJINTRAAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-17(13-16-14-22-12-9-18-16)19-8-4-10-21-11-7-15-5-2-1-3-6-15/h1-3,5-6,16,18H,4,7-14H2,(H,19,20).
What are the key properties of N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide?
N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 322.47 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).