2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C12H15F3N2O3S — CID 79264637

IUPAC2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(Cc1cccs1)NC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O3S/c1-8(5-9-3-2-4-21-9)16-11(20)17(6-10(18)19)7-12(13,14)15/h2-4,8H,5-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyXJXUURRZZIFKON-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.34
Rot. Bonds6

About 2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264637) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264637
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(Cc1cccs1)NC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O3S/c1-8(5-9-3-2-4-21-9)16-11(20)17(6-10(18)19)7-12(13,14)15/h2-4,8H,5-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyXJXUURRZZIFKON-UHFFFAOYSA-N
XLogP2.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264637) is 2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is CC(Cc1cccs1)NC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is XJXUURRZZIFKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-8(5-9-3-2-4-21-9)16-11(20)17(6-10(18)19)7-12(13,14)15/h2-4,8H,5-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 324.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-thiophen-2-ylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).