2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide

C17H23F3N2OS — CID 119940303

IUPAC2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide
SMILESCC(CCNC(=O)CC1CSCCN1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2OS/c1-12(13-3-2-4-14(9-13)17(18,19)20)5-6-22-16(23)10-15-11-24-8-7-21-15/h2-4,9,12,15,21H,5-8,10-11H2,1H3,(H,22,23)
InChIKeyUWNATUUELWCCBN-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.41
Rot. Bonds6

About 2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide

2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide (PubChem CID 119940303) has the molecular formula C17H23F3N2OS and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide
PubChem CID119940303
Molecular FormulaC17H23F3N2OS
Molecular Weight360.45 g/mol
Exact Mass360.15
IUPAC Name2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide
SMILESCC(CCNC(=O)CC1CSCCN1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2OS/c1-12(13-3-2-4-14(9-13)17(18,19)20)5-6-22-16(23)10-15-11-24-8-7-21-15/h2-4,9,12,15,21H,5-8,10-11H2,1H3,(H,22,23)
InChIKeyUWNATUUELWCCBN-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119939575
N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiomorpholine-3-carboxamide
CID 82897273
2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119935770
N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide
CID 119814995
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422398
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
1-(3-hydroxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]butyl]urea
CID 111542860
N-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81019920
1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
CID 119341574

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide?
The IUPAC name of 2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide (CID 119940303) is 2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide?
The canonical SMILES for 2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide is CC(CCNC(=O)CC1CSCCN1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide?
The InChIKey is UWNATUUELWCCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2OS/c1-12(13-3-2-4-14(9-13)17(18,19)20)5-6-22-16(23)10-15-11-24-8-7-21-15/h2-4,9,12,15,21H,5-8,10-11H2,1H3,(H,22,23).
What are the key properties of 2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide?
2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide has a molecular weight of 360.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide is sourced from PubChem (CID 119940303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).