2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid

C13H13NO4S2 — CID 62882270

IUPAC2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(CNS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H13NO4S2/c15-13(16)11(10-5-2-1-3-6-10)9-14-20(17,18)12-7-4-8-19-12/h1-8,11,14H,9H2,(H,15,16)
InChIKeyCZNBEVBLGLZIPA-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.89
Rot. Bonds6

About 2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid

2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid (PubChem CID 62882270) has the molecular formula C13H13NO4S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid
PubChem CID62882270
Molecular FormulaC13H13NO4S2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC Name2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(CNS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H13NO4S2/c15-13(16)11(10-5-2-1-3-6-10)9-14-20(17,18)12-7-4-8-19-12/h1-8,11,14H,9H2,(H,15,16)
InChIKeyCZNBEVBLGLZIPA-UHFFFAOYSA-N
XLogP1.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic 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

N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 66168152
N-(3-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 86589102
N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90499598
2-phenyl-3-(sulfamoylamino)propanoic acid
CID 114958853
2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 62883489
3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid
CID 114805986
2-phenyl-3-(propylsulfamoylamino)propanoic acid
CID 114805983
N-[(R)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815903
N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815899
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
4-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]pentanoic acid
CID 119188469

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid?
The IUPAC name of 2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid (CID 62882270) is 2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid is O=C(O)C(CNS(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid?
The InChIKey is CZNBEVBLGLZIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S2/c15-13(16)11(10-5-2-1-3-6-10)9-14-20(17,18)12-7-4-8-19-12/h1-8,11,14H,9H2,(H,15,16).
What are the key properties of 2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid?
2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid has a molecular weight of 311.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 62882270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).