2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid

C21H20FNO4S2 — CID 69253484

IUPAC2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid
SMILESCC(C)S(=O)(=O)Nc1ccsc1-c1ccc(-c2ccc(CC(=O)O)cc2F)cc1
InChIInChI=1S/C21H20FNO4S2/c1-13(2)29(26,27)23-19-9-10-28-21(19)16-6-4-15(5-7-16)17-8-3-14(11-18(17)22)12-20(24)25/h3-11,13,23H,12H2,1-2H3,(H,24,25)
InChIKeyQZKPYTHWJCWGAK-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.00
Rot. Bonds7

About 2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid

2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid (PubChem CID 69253484) has the molecular formula C21H20FNO4S2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid
PubChem CID69253484
Molecular FormulaC21H20FNO4S2
Molecular Weight433.53 g/mol
Exact Mass433.08
IUPAC Name2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid
SMILESCC(C)S(=O)(=O)Nc1ccsc1-c1ccc(-c2ccc(CC(=O)O)cc2F)cc1
InChIInChI=1S/C21H20FNO4S2/c1-13(2)29(26,27)23-19-9-10-28-21(19)16-6-4-15(5-7-16)17-8-3-14(11-18(17)22)12-20(24)25/h3-11,13,23H,12H2,1-2H3,(H,24,25)
InChIKeyQZKPYTHWJCWGAK-UHFFFAOYSA-N
XLogP5.00
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid (CID 69253484) is 2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid is CC(C)S(=O)(=O)Nc1ccsc1-c1ccc(-c2ccc(CC(=O)O)cc2F)cc1.
What is the InChIKey of 2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid?
The InChIKey is QZKPYTHWJCWGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4S2/c1-13(2)29(26,27)23-19-9-10-28-21(19)16-6-4-15(5-7-16)17-8-3-14(11-18(17)22)12-20(24)25/h3-11,13,23H,12H2,1-2H3,(H,24,25).
What are the key properties of 2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid?
2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid has a molecular weight of 433.53 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 69253484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).