4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide

C16H14F3NO3S — CID 38206582

IUPAC4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cccc(OC(F)(F)F)c2)s1
InChIInChI=1S/C16H14F3NO3S/c1-10-5-7-14(24-10)13(21)6-8-15(22)20-11-3-2-4-12(9-11)23-16(17,18)19/h2-5,7,9H,6,8H2,1H3,(H,20,22)
InChIKeyXTGCUJMWQXDIKS-UHFFFAOYSA-N
MW357.35 g/mol
LogP4.56
Rot. Bonds6

About 4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide

4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide (PubChem CID 38206582) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide
PubChem CID38206582
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Name4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cccc(OC(F)(F)F)c2)s1
InChIInChI=1S/C16H14F3NO3S/c1-10-5-7-14(24-10)13(21)6-8-15(22)20-11-3-2-4-12(9-11)23-16(17,18)19/h2-5,7,9H,6,8H2,1H3,(H,20,22)
InChIKeyXTGCUJMWQXDIKS-UHFFFAOYSA-N
XLogP4.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,2-dimethylpropanoylamino)phenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55631776
4-(5-methylthiophen-2-yl)-4-oxo-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55769546
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 29484980
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 78797825
4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 60850049
6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
CID 167849259
tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate
CID 38207855
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide
CID 33251204
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38205069

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide (CID 38206582) is 4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide is Cc1ccc(C(=O)CCC(=O)Nc2cccc(OC(F)(F)F)c2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is XTGCUJMWQXDIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-10-5-7-14(24-10)13(21)6-8-15(22)20-11-3-2-4-12(9-11)23-16(17,18)19/h2-5,7,9H,6,8H2,1H3,(H,20,22).
What are the key properties of 4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide?
4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 357.35 g/mol, XLogP of 4.56, 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-[3-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 38206582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).