ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate

C15H17NO3S — CID 106955324

IUPACethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate
SMILESCCOC(=O)c1ccc(N)cc1OCCc1ccsc1
InChIInChI=1S/C15H17NO3S/c1-2-18-15(17)13-4-3-12(16)9-14(13)19-7-5-11-6-8-20-10-11/h3-4,6,8-10H,2,5,7,16H2,1H3
InChIKeyGDMLIHGFGYTCRD-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.13
Rot. Bonds6

About ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate

ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate (PubChem CID 106955324) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate.

Molecular Properties

Compound Nameethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate
PubChem CID106955324
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Nameethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate
SMILESCCOC(=O)c1ccc(N)cc1OCCc1ccsc1
InChIInChI=1S/C15H17NO3S/c1-2-18-15(17)13-4-3-12(16)9-14(13)19-7-5-11-6-8-20-10-11/h3-4,6,8-10H,2,5,7,16H2,1H3
InChIKeyGDMLIHGFGYTCRD-UHFFFAOYSA-N
XLogP3.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.13
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

ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
2-thiophen-3-ylethyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297955
ethyl 4-amino-2-(2-propan-2-ylsulfonylethoxy)benzoate
CID 106955408
ethyl 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoate;phosphoric acid
CID 134109853
ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 106955208
ethyl 4-amino-2-(3-pyrrolidin-1-ylpropoxy)benzoate
CID 106955343
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758
ethyl 4-amino-2-(4-cyano-4-methylpentoxy)benzoate
CID 106955402
ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethoxy]benzoate
CID 106955362
ethyl 5-amino-2-(3-fluoropropoxy)benzoate
CID 106955925
thiophen-3-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
CID 61323017
ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate
CID 106955381

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate?
The IUPAC name of ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate (CID 106955324) is ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate.
What is the SMILES notation for ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate?
The canonical SMILES for ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate is CCOC(=O)c1ccc(N)cc1OCCc1ccsc1.
What is the InChIKey of ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate?
The InChIKey is GDMLIHGFGYTCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-18-15(17)13-4-3-12(16)9-14(13)19-7-5-11-6-8-20-10-11/h3-4,6,8-10H,2,5,7,16H2,1H3.
What are the key properties of ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate?
ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate has a molecular weight of 291.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate is sourced from PubChem (CID 106955324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).