4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide

C18H18F3NO2S — CID 31146992

IUPAC4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C18H18F3NO2S/c1-12-2-8-16(25-12)15(23)7-9-17(24)22-11-10-13-3-5-14(6-4-13)18(19,20)21/h2-6,8H,7,9-11H2,1H3,(H,22,24)
InChIKeyYYODNTBMBWYSHG-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.40
Rot. Bonds7

About 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide

4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide (PubChem CID 31146992) has the molecular formula C18H18F3NO2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
PubChem CID31146992
Molecular FormulaC18H18F3NO2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C18H18F3NO2S/c1-12-2-8-16(25-12)15(23)7-9-17(24)22-11-10-13-3-5-14(6-4-13)18(19,20)21/h2-6,8H,7,9-11H2,1H3,(H,22,24)
InChIKeyYYODNTBMBWYSHG-UHFFFAOYSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18107464
4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 26594248
4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 26594245
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 24549061
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 26373754
4-(5-chlorothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
CID 18104965
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30253728
4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 18108735
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
4-chloro-N-[2-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]ethyl]benzamide
CID 55631917
N-[2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545907

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide (CID 31146992) is 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide is Cc1ccc(C(=O)CCC(=O)NCCc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The InChIKey is YYODNTBMBWYSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2S/c1-12-2-8-16(25-12)15(23)7-9-17(24)22-11-10-13-3-5-14(6-4-13)18(19,20)21/h2-6,8H,7,9-11H2,1H3,(H,22,24).
What are the key properties of 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide has a molecular weight of 369.41 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 31146992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).