N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide

C14H18ClFN2OS — CID 119937616

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(NC(=O)CC1CSCCN1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2OS/c1-9(10-2-3-13(16)12(15)6-10)18-14(19)7-11-8-20-5-4-17-11/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyZTRDFZCKJHCONK-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.75
Rot. Bonds4

About N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119937616) has the molecular formula C14H18ClFN2OS and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119937616
Molecular FormulaC14H18ClFN2OS
Molecular Weight316.83 g/mol
Exact Mass316.08
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(NC(=O)CC1CSCCN1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2OS/c1-9(10-2-3-13(16)12(15)6-10)18-14(19)7-11-8-20-5-4-17-11/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyZTRDFZCKJHCONK-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421239
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939548
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 66421232
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935893
N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936283
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935675

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 119937616) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide is CC(NC(=O)CC1CSCCN1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is ZTRDFZCKJHCONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2OS/c1-9(10-2-3-13(16)12(15)6-10)18-14(19)7-11-8-20-5-4-17-11/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 316.83 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).