2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate

C14H15NO3S — CID 78960520

IUPAC2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCc2cccs2)c(N)c1
InChIInChI=1S/C14H15NO3S/c1-17-10-4-5-12(13(15)9-10)14(16)18-7-6-11-3-2-8-19-11/h2-5,8-9H,6-7,15H2,1H3
InChIKeyYLSPPDOTNRLBEH-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.74
Rot. Bonds5

About 2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate

2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate (PubChem CID 78960520) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate
PubChem CID78960520
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCc2cccs2)c(N)c1
InChIInChI=1S/C14H15NO3S/c1-17-10-4-5-12(13(15)9-10)14(16)18-7-6-11-3-2-8-19-11/h2-5,8-9H,6-7,15H2,1H3
InChIKeyYLSPPDOTNRLBEH-UHFFFAOYSA-N
XLogP2.74
TPSA61.55 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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate
CID 113227820
2-thiophen-2-ylethyl 2,3-diamino-5-methylbenzoate
CID 81444536
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-4-methoxybenzoate
CID 112686980
2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
CID 81413803
3,3-dimethylbutyl 2-amino-4-methoxybenzoate
CID 113223150
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 38560370
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,4-dimethoxybenzoate
CID 7604434
2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate
CID 80712277
4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
CID 106748443
[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]methanol
CID 63775137
1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105098364
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate?
The IUPAC name of 2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate (CID 78960520) is 2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate.
What is the SMILES notation for 2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate?
The canonical SMILES for 2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate is COc1ccc(C(=O)OCCc2cccs2)c(N)c1.
What is the InChIKey of 2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate?
The InChIKey is YLSPPDOTNRLBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-17-10-4-5-12(13(15)9-10)14(16)18-7-6-11-3-2-8-19-11/h2-5,8-9H,6-7,15H2,1H3.
What are the key properties of 2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate?
2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate has a molecular weight of 277.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate is sourced from PubChem (CID 78960520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).