N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide

C16H24N2OS — CID 66421005

IUPACN-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESCCc1cccc(CC)c1NC(=O)CC1CSCCN1
InChIInChI=1S/C16H24N2OS/c1-3-12-6-5-7-13(4-2)16(12)18-15(19)10-14-11-20-9-8-17-14/h5-7,14,17H,3-4,8-11H2,1-2H3,(H,18,19)
InChIKeyZNSRXGACRGDLMF-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.85
Rot. Bonds5

About N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide

N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66421005) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66421005
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESCCc1cccc(CC)c1NC(=O)CC1CSCCN1
InChIInChI=1S/C16H24N2OS/c1-3-12-6-5-7-13(4-2)16(12)18-15(19)10-14-11-20-9-8-17-14/h5-7,14,17H,3-4,8-11H2,1-2H3,(H,18,19)
InChIKeyZNSRXGACRGDLMF-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 116787040
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941468
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66421642
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935046

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide (CID 66421005) is N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide is CCc1cccc(CC)c1NC(=O)CC1CSCCN1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is ZNSRXGACRGDLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-12-6-5-7-13(4-2)16(12)18-15(19)10-14-11-20-9-8-17-14/h5-7,14,17H,3-4,8-11H2,1-2H3,(H,18,19).
What are the key properties of N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide?
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 292.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).