2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

C15H18F3NO4S — CID 55611684

IUPAC2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)CC1CCS(=O)(=O)C1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO4S/c1-10(12-2-4-13(5-3-12)23-15(16,17)18)19-14(20)8-11-6-7-24(21,22)9-11/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeySOFLXHFTAGUBKA-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.59
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 55611684) has the molecular formula C15H18F3NO4S and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID55611684
Molecular FormulaC15H18F3NO4S
Molecular Weight365.37 g/mol
Exact Mass365.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)CC1CCS(=O)(=O)C1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO4S/c1-10(12-2-4-13(5-3-12)23-15(16,17)18)19-14(20)8-11-6-7-24(21,22)9-11/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeySOFLXHFTAGUBKA-UHFFFAOYSA-N
XLogP2.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dichlorophenyl)ethyl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 55394808
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 51938037
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8735361
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408993
2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
2-cyclopentyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 134002861
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
2-(1,1-dioxothiolan-3-yl)-N-(3-methyl-1-phenylbutyl)acetamide
CID 78813624
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9369701

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 55611684) is 2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is CC(NC(=O)CC1CCS(=O)(=O)C1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is SOFLXHFTAGUBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO4S/c1-10(12-2-4-13(5-3-12)23-15(16,17)18)19-14(20)8-11-6-7-24(21,22)9-11/h2-5,10-11H,6-9H2,1H3,(H,19,20).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 365.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 55611684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).