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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).