2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid

C9H9F3N2O3S — CID 55177892

IUPAC2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C9H9F3N2O3S/c1-14(4-9(10,11)12)8(17)13-6-5(7(15)16)2-3-18-6/h2-3H,4H2,1H3,(H,13,17)(H,15,16)
InChIKeyAJEPOXREPJFNLY-UHFFFAOYSA-N
MW282.24 g/mol
LogP2.47
Rot. Bonds3

About 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 55177892) has the molecular formula C9H9F3N2O3S and a molecular weight of 282.24 g/mol. Its IUPAC name is 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID55177892
Molecular FormulaC9H9F3N2O3S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C9H9F3N2O3S/c1-14(4-9(10,11)12)8(17)13-6-5(7(15)16)2-3-18-6/h2-3H,4H2,1H3,(H,13,17)(H,15,16)
InChIKeyAJEPOXREPJFNLY-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 55177892) is 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid is CN(CC(F)(F)F)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is AJEPOXREPJFNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3S/c1-14(4-9(10,11)12)8(17)13-6-5(7(15)16)2-3-18-6/h2-3H,4H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 282.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 55177892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).