2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide

C15H14F3NOS — CID 2740267

IUPAC2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide
SMILESCC(C)C(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C15H14F3NOS/c1-9(2)14(20)19-11-8-21-13(15(16,17)18)12(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,19,20)
InChIKeySCNGDXNAAUJPGJ-UHFFFAOYSA-N
MW313.34 g/mol
LogP5.03
Rot. Bonds3

About 2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide

2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide (PubChem CID 2740267) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide
PubChem CID2740267
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide
SMILESCC(C)C(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C15H14F3NOS/c1-9(2)14(20)19-11-8-21-13(15(16,17)18)12(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,19,20)
InChIKeySCNGDXNAAUJPGJ-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.34
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide (CID 2740267) is 2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide is CC(C)C(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide?
The InChIKey is SCNGDXNAAUJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c1-9(2)14(20)19-11-8-21-13(15(16,17)18)12(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide?
2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide has a molecular weight of 313.34 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]propanamide is sourced from PubChem (CID 2740267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).