2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide

C17H19F3N2OS — CID 142420161

IUPAC2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCNC(CC(C)C(=O)Nc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C17H19F3N2OS/c1-11(9-14(21-2)15-7-4-8-24-15)16(23)22-13-6-3-5-12(10-13)17(18,19)20/h3-8,10-11,14,21H,9H2,1-2H3,(H,22,23)
InChIKeyAWXOZKFMNAZQMT-UHFFFAOYSA-N
MW356.41 g/mol
LogP4.69
Rot. Bonds6

About 2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide

2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 142420161) has the molecular formula C17H19F3N2OS and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID142420161
Molecular FormulaC17H19F3N2OS
Molecular Weight356.41 g/mol
Exact Mass356.12
IUPAC Name2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCNC(CC(C)C(=O)Nc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C17H19F3N2OS/c1-11(9-14(21-2)15-7-4-8-24-15)16(23)22-13-6-3-5-12(10-13)17(18,19)20/h3-8,10-11,14,21H,9H2,1-2H3,(H,22,23)
InChIKeyAWXOZKFMNAZQMT-UHFFFAOYSA-N
XLogP4.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide (CID 142420161) is 2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide is CNC(CC(C)C(=O)Nc1cccc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of 2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is AWXOZKFMNAZQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2OS/c1-11(9-14(21-2)15-7-4-8-24-15)16(23)22-13-6-3-5-12(10-13)17(18,19)20/h3-8,10-11,14,21H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide?
2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 356.41 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylamino)-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 142420161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).