methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate

C14H15NO3S — CID 61346939

IUPACmethyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate
SMILESCOC(=O)C(Nc1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C14H15NO3S/c1-17-11-7-5-10(6-8-11)15-13(14(16)18-2)12-4-3-9-19-12/h3-9,13,15H,1-2H3
InChIKeyYGUBQGSBXMYOFQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.08
Rot. Bonds5

About methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate

methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate (PubChem CID 61346939) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate
PubChem CID61346939
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Namemethyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate
SMILESCOC(=O)C(Nc1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C14H15NO3S/c1-17-11-7-5-10(6-8-11)15-13(14(16)18-2)12-4-3-9-19-12/h3-9,13,15H,1-2H3
InChIKeyYGUBQGSBXMYOFQ-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[(2S)-2-(4-methoxyanilino)-2-thiophen-2-ylethyl]propanedioate
CID 146167349
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate
CID 61345565
methyl 4-(4-methoxyphenyl)-4-oxo-2-thiophen-2-ylbutanoate
CID 54343280
methyl 2-thiophen-2-ylpropanoate
CID 12819459
methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride
CID 119295504
methyl 2-chloro-2-thiophen-2-ylacetate
CID 60704267
methyl (2R,3S)-3-amino-2-(4-methoxyanilino)butanoate
CID 10105611
methyl (2S,3R)-2-(4-methoxyanilino)-3-methyl-4-oxobutanoate
CID 101391290
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid
CID 115284600

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate?
The IUPAC name of methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate (CID 61346939) is methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate.
What is the SMILES notation for methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate?
The canonical SMILES for methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate is COC(=O)C(Nc1ccc(OC)cc1)c1cccs1.
What is the InChIKey of methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate?
The InChIKey is YGUBQGSBXMYOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-17-11-7-5-10(6-8-11)15-13(14(16)18-2)12-4-3-9-19-12/h3-9,13,15H,1-2H3.
What are the key properties of methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate?
methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate has a molecular weight of 277.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate is sourced from PubChem (CID 61346939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).