N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide

C14H19ClN2OS — CID 66423074

IUPACN-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c15-12-3-1-11(2-4-12)5-6-17-14(18)9-13-10-19-8-7-16-13/h1-4,13,16H,5-10H2,(H,17,18)
InChIKeySGLIKHSKOUPPLK-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66423074) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66423074
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c15-12-3-1-11(2-4-12)5-6-17-14(18)9-13-10-19-8-7-16-13/h1-4,13,16H,5-10H2,(H,17,18)
InChIKeySGLIKHSKOUPPLK-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
N-(4-chlorophenyl)-4-[(2-thiomorpholin-3-ylacetyl)amino]butanamide
CID 119937332
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936135
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119935250
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938917
N-[3-(4-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937471
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938762
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937369
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941680

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 66423074) is N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is SGLIKHSKOUPPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c15-12-3-1-11(2-4-12)5-6-17-14(18)9-13-10-19-8-7-16-13/h1-4,13,16H,5-10H2,(H,17,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 298.84 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66423074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).