ethyl 4-(thiophen-2-ylmethylamino)benzoate

C14H15NO2S — CID 566481

IUPACethyl 4-(thiophen-2-ylmethylamino)benzoate
SMILESCCOC(=O)c1ccc(NCc2cccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-17-14(16)11-5-7-12(8-6-11)15-10-13-4-3-9-18-13/h3-9,15H,2,10H2,1H3
InChIKeyWZMJZHDDJVTZRL-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.54
Rot. Bonds5

About ethyl 4-(thiophen-2-ylmethylamino)benzoate

ethyl 4-(thiophen-2-ylmethylamino)benzoate (PubChem CID 566481) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is ethyl 4-(thiophen-2-ylmethylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(thiophen-2-ylmethylamino)benzoate
PubChem CID566481
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Nameethyl 4-(thiophen-2-ylmethylamino)benzoate
SMILESCCOC(=O)c1ccc(NCc2cccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-17-14(16)11-5-7-12(8-6-11)15-10-13-4-3-9-18-13/h3-9,15H,2,10H2,1H3
InChIKeyWZMJZHDDJVTZRL-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Thiophene-2-amido)benzoic acid
CID 746807
4-[(Thiophen-2-ylmethyl)-amino]-benzoic acid
CID 744861
Ethyl 4-(butylamino)benzoate
CID 66746
Ethyl 4-[(thiophen-2-ylacetyl)amino]benzoate
CID 779619
1-Ethyl 4-[[2-[(2-carboxyethyl)thio]acetyl]amino]benzoate
CID 2492710
2-(4-Acetamido-2-fluorophenyl)-2-oxoethyl thiophene-2-carboxylate
CID 9460276
N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-2-thiophen-2-yl-acetamide
CID 566349
Propyl 4-{[3-(2-thienyl)acryloyl]amino}benzoate
CID 2166331
4-[[(3-Methyl-2-thienyl)carbonyl]amino]benzoic acid
CID 3236748
Ethyl 4-[({2-[(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}carbonyl)amino]benzoate
CID 4430443
Methyl 4-{3-[(5-bromothiophen-2-YL)sulfonyl]propanamido}benzoate
CID 9551133
4-(2-Thiophen-2-yl-acetylamino)-benzoic acid
CID 649392

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(thiophen-2-ylmethylamino)benzoate?
The IUPAC name of ethyl 4-(thiophen-2-ylmethylamino)benzoate (CID 566481) is ethyl 4-(thiophen-2-ylmethylamino)benzoate.
What is the SMILES notation for ethyl 4-(thiophen-2-ylmethylamino)benzoate?
The canonical SMILES for ethyl 4-(thiophen-2-ylmethylamino)benzoate is CCOC(=O)c1ccc(NCc2cccs2)cc1.
What is the InChIKey of ethyl 4-(thiophen-2-ylmethylamino)benzoate?
The InChIKey is WZMJZHDDJVTZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-17-14(16)11-5-7-12(8-6-11)15-10-13-4-3-9-18-13/h3-9,15H,2,10H2,1H3.
What are the key properties of ethyl 4-(thiophen-2-ylmethylamino)benzoate?
ethyl 4-(thiophen-2-ylmethylamino)benzoate has a molecular weight of 261.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(thiophen-2-ylmethylamino)benzoate is sourced from PubChem (CID 566481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).