2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate

C14H15NO3S — CID 81413803

IUPAC2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OCCc1cccs1
InChIInChI=1S/C14H15NO3S/c1-17-12-6-2-5-11(15)13(12)14(16)18-8-7-10-4-3-9-19-10/h2-6,9H,7-8,15H2,1H3
InChIKeyNWHRHTHQCFREHT-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.74
Rot. Bonds5

About 2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate

2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate (PubChem CID 81413803) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
PubChem CID81413803
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OCCc1cccs1
InChIInChI=1S/C14H15NO3S/c1-17-12-6-2-5-11(15)13(12)14(16)18-8-7-10-4-3-9-19-10/h2-6,9H,7-8,15H2,1H3
InChIKeyNWHRHTHQCFREHT-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-hydroxyethyl 2-amino-6-methoxybenzoate
CID 81413891
2-ethoxyethyl 2-amino-6-methoxybenzoate
CID 81414860
3-(2-amino-6-methoxybenzoyl)oxypropanoic acid
CID 81414041
2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate
CID 78960520
2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 81393720
(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
CID 81414867
thiophen-3-ylmethyl 2-amino-6-methoxybenzoate
CID 81414459
1,3-thiazol-5-ylmethyl 2-amino-6-methoxybenzoate
CID 112643763
2-thiophen-2-ylethyl 2,3-diamino-5-methylbenzoate
CID 81444536
thiophen-2-ylmethyl 2-amino-6-fluorobenzoate
CID 61233744
2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate
CID 80712277
2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate
CID 113227820

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate?
The IUPAC name of 2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate (CID 81413803) is 2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate.
What is the SMILES notation for 2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate?
The canonical SMILES for 2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate is COc1cccc(N)c1C(=O)OCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate?
The InChIKey is NWHRHTHQCFREHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-17-12-6-2-5-11(15)13(12)14(16)18-8-7-10-4-3-9-19-10/h2-6,9H,7-8,15H2,1H3.
What are the key properties of 2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate?
2-thiophen-2-ylethyl 2-amino-6-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-6-methoxybenzoate is sourced from PubChem (CID 81413803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).