2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid

C18H19NO4S — CID 56623762

IUPAC2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C=CNS(=O)(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H19NO4S/c20-18(21)14-17-8-6-16(7-9-17)10-12-19-24(22,23)13-11-15-4-2-1-3-5-15/h1-10,12,19H,11,13-14H2,(H,20,21)
InChIKeyAKYJSPCIHNHJPL-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.45
Rot. Bonds8

About 2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid

2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid (PubChem CID 56623762) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid
PubChem CID56623762
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C=CNS(=O)(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H19NO4S/c20-18(21)14-17-8-6-16(7-9-17)10-12-19-24(22,23)13-11-15-4-2-1-3-5-15/h1-10,12,19H,11,13-14H2,(H,20,21)
InChIKeyAKYJSPCIHNHJPL-UHFFFAOYSA-N
XLogP2.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]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

Related Compounds

2-(4-prop-1-enylphenyl)acetic acid
CID 70128310
(E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide
CID 69484131
2-[4-[(E)-2-[3,5-bis[(E)-2-[4-(carboxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]acetic acid;ethane
CID 145426208
2-phenylacetic acid;propanedioic acid
CID 159349511
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
2-[4-(2-phenylethylsulfanyl)phenyl]acetic acid
CID 64926976
2-[4-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]ethyl]phenyl]acetic acid
CID 12945837
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
formaldehyde;2-phenylacetic acid
CID 70638018

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid (CID 56623762) is 2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid is O=C(O)Cc1ccc(C=CNS(=O)(=O)CCc2ccccc2)cc1.
What is the InChIKey of 2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid?
The InChIKey is AKYJSPCIHNHJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-18(21)14-17-8-6-16(7-9-17)10-12-19-24(22,23)13-11-15-4-2-1-3-5-15/h1-10,12,19H,11,13-14H2,(H,20,21).
What are the key properties of 2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid?
2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid has a molecular weight of 345.42 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid is sourced from PubChem (CID 56623762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).