2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid

C17H16F3NO3S — CID 155933874

IUPAC2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1CCCC(F)(F)F)c1cccs1
InChIInChI=1S/C17H16F3NO3S/c18-17(19,20)9-3-6-11-5-1-2-7-12(11)14(16(23)24)21-15(22)13-8-4-10-25-13/h1-2,4-5,7-8,10,14H,3,6,9H2,(H,21,22)(H,23,24)
InChIKeyYHIRMITYZZIFSH-UHFFFAOYSA-N
MW371.38 g/mol
LogP4.19
Rot. Bonds7

About 2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid

2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid (PubChem CID 155933874) has the molecular formula C17H16F3NO3S and a molecular weight of 371.38 g/mol. Its IUPAC name is 2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid
PubChem CID155933874
Molecular FormulaC17H16F3NO3S
Molecular Weight371.38 g/mol
Exact Mass371.08
IUPAC Name2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1CCCC(F)(F)F)c1cccs1
InChIInChI=1S/C17H16F3NO3S/c18-17(19,20)9-3-6-11-5-1-2-7-12(11)14(16(23)24)21-15(22)13-8-4-10-25-13/h1-2,4-5,7-8,10,14H,3,6,9H2,(H,21,22)(H,23,24)
InChIKeyYHIRMITYZZIFSH-UHFFFAOYSA-N
XLogP4.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid?
The IUPAC name of 2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid (CID 155933874) is 2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid.
What is the SMILES notation for 2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid?
The canonical SMILES for 2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid is O=C(NC(C(=O)O)c1ccccc1CCCC(F)(F)F)c1cccs1.
What is the InChIKey of 2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid?
The InChIKey is YHIRMITYZZIFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3S/c18-17(19,20)9-3-6-11-5-1-2-7-12(11)14(16(23)24)21-15(22)13-8-4-10-25-13/h1-2,4-5,7-8,10,14H,3,6,9H2,(H,21,22)(H,23,24).
What are the key properties of 2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid?
2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid has a molecular weight of 371.38 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid is sourced from PubChem (CID 155933874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).