2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C9H9F3N2O3S — CID 79266672

IUPAC2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Nc1ccsc1
InChIInChI=1S/C9H9F3N2O3S/c10-9(11,12)5-14(3-7(15)16)8(17)13-6-1-2-18-4-6/h1-2,4H,3,5H2,(H,13,17)(H,15,16)
InChIKeyHEECYSCPZKMXJL-UHFFFAOYSA-N
MW282.24 g/mol
LogP2.23
Rot. Bonds4

About 2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266672) has the molecular formula C9H9F3N2O3S and a molecular weight of 282.24 g/mol. Its IUPAC name is 2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266672
Molecular FormulaC9H9F3N2O3S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC Name2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Nc1ccsc1
InChIInChI=1S/C9H9F3N2O3S/c10-9(11,12)5-14(3-7(15)16)8(17)13-6-1-2-18-4-6/h1-2,4H,3,5H2,(H,13,17)(H,15,16)
InChIKeyHEECYSCPZKMXJL-UHFFFAOYSA-N
XLogP2.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79286710
2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79282464
2-[(3-fluoro-4-methylphenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263446
2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258723
2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79257193
2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
CID 66355663
2-[(2,4-difluorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265443
2-[(3-bromo-2-methylphenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107627310
2-[4-chloro-N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
CID 66354817
2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 79266783
2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid
CID 104570094
2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257795

Frequently Asked Questions

What is the IUPAC name of 2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266672) is 2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)Nc1ccsc1.
What is the InChIKey of 2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is HEECYSCPZKMXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3S/c10-9(11,12)5-14(3-7(15)16)8(17)13-6-1-2-18-4-6/h1-2,4H,3,5H2,(H,13,17)(H,15,16).
What are the key properties of 2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 282.24 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).