N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide

C13H14ClF3N2OS — CID 66422398

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H14ClF3N2OS/c14-10-2-1-8(13(15,16)17)5-11(10)19-12(20)6-9-7-21-4-3-18-9/h1-2,5,9,18H,3-4,6-7H2,(H,19,20)
InChIKeyFNMATZGXKZJSKL-UHFFFAOYSA-N
MW338.78 g/mol
LogP3.39
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66422398) has the molecular formula C13H14ClF3N2OS and a molecular weight of 338.78 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66422398
Molecular FormulaC13H14ClF3N2OS
Molecular Weight338.78 g/mol
Exact Mass338.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H14ClF3N2OS/c14-10-2-1-8(13(15,16)17)5-11(10)19-12(20)6-9-7-21-4-3-18-9/h1-2,5,9,18H,3-4,6-7H2,(H,19,20)
InChIKeyFNMATZGXKZJSKL-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.78
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119935157
3-chloro-4-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66420522
N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938128
2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119935770
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511
N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide
CID 66420640
N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938825
N-(2-bromo-5-iodophenyl)-2-thiomorpholin-3-ylacetamide
CID 114259879
4,5-difluoro-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421304
2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936388

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 66422398) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is FNMATZGXKZJSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2OS/c14-10-2-1-8(13(15,16)17)5-11(10)19-12(20)6-9-7-21-4-3-18-9/h1-2,5,9,18H,3-4,6-7H2,(H,19,20).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 338.78 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).