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

C16H14F3NO2S2 — CID 78878756

IUPAC4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2SC(F)(F)F)s1
InChIInChI=1S/C16H14F3NO2S2/c1-10-6-8-14(23-10)12(21)7-9-15(22)20-11-4-2-3-5-13(11)24-16(17,18)19/h2-6,8H,7,9H2,1H3,(H,20,22)
InChIKeyTWDJUTYMLLNZEQ-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.27
Rot. Bonds6

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

4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide (PubChem CID 78878756) has the molecular formula C16H14F3NO2S2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
PubChem CID78878756
Molecular FormulaC16H14F3NO2S2
Molecular Weight373.42 g/mol
Exact Mass373.04
IUPAC Name4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2SC(F)(F)F)s1
InChIInChI=1S/C16H14F3NO2S2/c1-10-6-8-14(23-10)12(21)7-9-15(22)20-11-4-2-3-5-13(11)24-16(17,18)19/h2-6,8H,7,9H2,1H3,(H,20,22)
InChIKeyTWDJUTYMLLNZEQ-UHFFFAOYSA-N
XLogP5.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39754436
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide
CID 33251204
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide
CID 39759961
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide
CID 30235975
4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide
CID 78802755
N-methyl-4-(5-methylthiophen-2-yl)-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 9428704
N-(3-chloro-2-methylphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 39889391
2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 78878752
4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide
CID 35328091
4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 38206582
N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18106816
2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60841801

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide (CID 78878756) is 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccccc2SC(F)(F)F)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide?
The InChIKey is TWDJUTYMLLNZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2S2/c1-10-6-8-14(23-10)12(21)7-9-15(22)20-11-4-2-3-5-13(11)24-16(17,18)19/h2-6,8H,7,9H2,1H3,(H,20,22).
What are the key properties of 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide?
4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide has a molecular weight of 373.42 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide is sourced from PubChem (CID 78878756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).