2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid

C14H13NO3S2 — CID 43358392

IUPAC2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid
SMILESO=C(CSc1cccs1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H13NO3S2/c16-11(9-20-12-7-4-8-19-12)15-13(14(17)18)10-5-2-1-3-6-10/h1-8,13H,9H2,(H,15,16)(H,17,18)
InChIKeySBLFGXDKHUROIO-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.78
Rot. Bonds6

About 2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid

2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid (PubChem CID 43358392) has the molecular formula C14H13NO3S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid
PubChem CID43358392
Molecular FormulaC14H13NO3S2
Molecular Weight307.40 g/mol
Exact Mass307.03
IUPAC Name2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid
SMILESO=C(CSc1cccs1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H13NO3S2/c16-11(9-20-12-7-4-8-19-12)15-13(14(17)18)10-5-2-1-3-6-10/h1-8,13H,9H2,(H,15,16)(H,17,18)
InChIKeySBLFGXDKHUROIO-UHFFFAOYSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]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

(2S)-2-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 61131354
(2S)-4-hydroxy-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 107821680
(2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 79010943
4-hydroxy-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 61244401
N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide
CID 43427808
(2R)-5-methoxy-5-oxo-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 107820540
2-[[2-(carboxymethylsulfanyl)acetyl]amino]-2-phenylacetic acid
CID 104569833
(2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid
CID 119368058
(2S)-5-ethoxy-5-oxo-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 107039101
(2S)-2-phenyl-2-[(2-propylsulfanylacetyl)amino]acetic acid
CID 119372714
(2R)-2-phenyl-2-(6-thiophen-2-ylhexanoylamino)acetic acid
CID 119367978
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid?
The IUPAC name of 2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid (CID 43358392) is 2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid.
What is the SMILES notation for 2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid?
The canonical SMILES for 2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid is O=C(CSc1cccs1)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid?
The InChIKey is SBLFGXDKHUROIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S2/c16-11(9-20-12-7-4-8-19-12)15-13(14(17)18)10-5-2-1-3-6-10/h1-8,13H,9H2,(H,15,16)(H,17,18).
What are the key properties of 2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid?
2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid has a molecular weight of 307.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid is sourced from PubChem (CID 43358392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).