methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate

C15H15NO3S — CID 62109356

IUPACmethyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C15H15NO3S/c1-19-15(18)14(11-6-3-2-4-7-11)16-13(17)10-12-8-5-9-20-12/h2-9,14H,10H2,1H3,(H,16,17)
InChIKeyYFPZBUTUQIYHMY-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.32
Rot. Bonds5

About methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate

methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate (PubChem CID 62109356) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate
PubChem CID62109356
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namemethyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C15H15NO3S/c1-19-15(18)14(11-6-3-2-4-7-11)16-13(17)10-12-8-5-9-20-12/h2-9,14H,10H2,1H3,(H,16,17)
InChIKeyYFPZBUTUQIYHMY-UHFFFAOYSA-N
XLogP2.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate 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-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide
CID 61121759
N-(4-methoxyphenyl)-2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetamide
CID 3378615
N-benzhydryl-2-thiophen-2-ylacetamide
CID 785978
methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
CID 62109189
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
CID 113272323
methyl 2-phenyl-2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 62110186
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide
CID 32576120
methyl 2-bromo-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 103492522
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 31932218
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate?
The IUPAC name of methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate (CID 62109356) is methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate.
What is the SMILES notation for methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate?
The canonical SMILES for methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate is COC(=O)C(NC(=O)Cc1cccs1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate?
The InChIKey is YFPZBUTUQIYHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-19-15(18)14(11-6-3-2-4-7-11)16-13(17)10-12-8-5-9-20-12/h2-9,14H,10H2,1H3,(H,16,17).
What are the key properties of methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate?
methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate has a molecular weight of 289.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate is sourced from PubChem (CID 62109356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).