(2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate

C15H15NO4S — CID 110670963

IUPAC(2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate
SMILESCOc1ccccc1OC(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C15H15NO4S/c1-19-12-6-2-3-7-13(12)20-15(18)10-16-14(17)9-11-5-4-8-21-11/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyKOZZELKLTHOWQH-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.02
Rot. Bonds6

About (2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate

(2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate (PubChem CID 110670963) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate
PubChem CID110670963
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name(2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate
SMILESCOc1ccccc1OC(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C15H15NO4S/c1-19-12-6-2-3-7-13(12)20-15(18)10-16-14(17)9-11-5-4-8-21-11/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyKOZZELKLTHOWQH-UHFFFAOYSA-N
XLogP2.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate
CID 110670984
(2-methylphenyl) 2-(3-thiophen-2-ylpropanoylamino)acetate
CID 110670291
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112998996
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
(2-hydroxyphenyl) 2-thiophen-2-ylacetate
CID 91700994
N-(2-chloroprop-2-enyl)-2-thiophen-2-ylacetamide
CID 115636481
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971097
N-[(2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 951103
N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 110779769
methyl 2-bromo-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 103492522

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate?
The IUPAC name of (2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate (CID 110670963) is (2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate?
The canonical SMILES for (2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate is COc1ccccc1OC(=O)CNC(=O)Cc1cccs1.
What is the InChIKey of (2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate?
The InChIKey is KOZZELKLTHOWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-19-12-6-2-3-7-13(12)20-15(18)10-16-14(17)9-11-5-4-8-21-11/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of (2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate?
(2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate has a molecular weight of 305.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate is sourced from PubChem (CID 110670963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).