2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid

C14H13NO4S2 — CID 115284329

IUPAC2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NS(=O)(=O)/C=C/c1ccccc1)c1cccs1
InChIInChI=1S/C14H13NO4S2/c16-14(17)13(12-7-4-9-20-12)15-21(18,19)10-8-11-5-2-1-3-6-11/h1-10,13,15H,(H,16,17)/b10-8+
InChIKeyUELZEZJIWLDXDK-CSKARUKUSA-N
MW323.40 g/mol
LogP2.46
Rot. Bonds6

About 2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid

2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid (PubChem CID 115284329) has the molecular formula C14H13NO4S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid
PubChem CID115284329
Molecular FormulaC14H13NO4S2
Molecular Weight323.40 g/mol
Exact Mass323.03
IUPAC Name2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NS(=O)(=O)/C=C/c1ccccc1)c1cccs1
InChIInChI=1S/C14H13NO4S2/c16-14(17)13(12-7-4-9-20-12)15-21(18,19)10-8-11-5-2-1-3-6-11/h1-10,13,15H,(H,16,17)/b10-8+
InChIKeyUELZEZJIWLDXDK-CSKARUKUSA-N
XLogP2.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic 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

(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide
CID 60548872
2-(methanesulfonamido)-2-thiophen-2-ylacetic acid
CID 79018787
(E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide
CID 71782490
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
(2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid
CID 706131
2-formamido-2-thiophen-2-ylacetic acid
CID 21492681
[(E)-2-phenylethenyl]sulfonylurea
CID 22750927
2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284374
2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284360
2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284282
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide
CID 71873114

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid (CID 115284329) is 2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid is O=C(O)C(NS(=O)(=O)/C=C/c1ccccc1)c1cccs1.
What is the InChIKey of 2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid?
The InChIKey is UELZEZJIWLDXDK-CSKARUKUSA-N. The full InChI is InChI=1S/C14H13NO4S2/c16-14(17)13(12-7-4-9-20-12)15-21(18,19)10-8-11-5-2-1-3-6-11/h1-10,13,15H,(H,16,17)/b10-8+.
What are the key properties of 2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid?
2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid has a molecular weight of 323.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).