ethyl 2-(1-benzothiophen-5-ylamino)pentanoate

C15H19NO2S — CID 79040634

IUPACethyl 2-(1-benzothiophen-5-ylamino)pentanoate
SMILESCCCC(Nc1ccc2sccc2c1)C(=O)OCC
InChIInChI=1S/C15H19NO2S/c1-3-5-13(15(17)18-4-2)16-12-6-7-14-11(10-12)8-9-19-14/h6-10,13,16H,3-5H2,1-2H3
InChIKeyPBRJLVNDQRUBBM-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.05
Rot. Bonds6

About ethyl 2-(1-benzothiophen-5-ylamino)pentanoate

ethyl 2-(1-benzothiophen-5-ylamino)pentanoate (PubChem CID 79040634) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is ethyl 2-(1-benzothiophen-5-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(1-benzothiophen-5-ylamino)pentanoate
PubChem CID79040634
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Nameethyl 2-(1-benzothiophen-5-ylamino)pentanoate
SMILESCCCC(Nc1ccc2sccc2c1)C(=O)OCC
InChIInChI=1S/C15H19NO2S/c1-3-5-13(15(17)18-4-2)16-12-6-7-14-11(10-12)8-9-19-14/h6-10,13,16H,3-5H2,1-2H3
InChIKeyPBRJLVNDQRUBBM-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3,4-dichloroanilino)pentanoate
CID 83037604
ethyl 3-(1-benzothiophen-5-ylamino)propanoate
CID 65474309
ethyl 2-(4-methoxy-3-methylanilino)pentanoate
CID 79040257
ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate
CID 79040702
2-(1-benzothiophen-5-ylamino)propanoic acid
CID 65475467
ethyl 2-(3-ethynylanilino)pentanoate
CID 79040775
ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate
CID 43781917
ethyl 2-(1-benzothiophen-5-yl)-2-oxoacetate
CID 56949853
N-(1-phenylpentyl)-1-benzothiophen-5-amine
CID 43781957
N-(1-benzothiophen-5-yl)-2-cyanobutanamide
CID 65473775
dimethyl 2-(1-benzothiophen-5-yl)propanedioate
CID 166823903
2-(1-benzothiophen-5-ylamino)butanenitrile
CID 65475855

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzothiophen-5-ylamino)pentanoate?
The IUPAC name of ethyl 2-(1-benzothiophen-5-ylamino)pentanoate (CID 79040634) is ethyl 2-(1-benzothiophen-5-ylamino)pentanoate.
What is the SMILES notation for ethyl 2-(1-benzothiophen-5-ylamino)pentanoate?
The canonical SMILES for ethyl 2-(1-benzothiophen-5-ylamino)pentanoate is CCCC(Nc1ccc2sccc2c1)C(=O)OCC.
What is the InChIKey of ethyl 2-(1-benzothiophen-5-ylamino)pentanoate?
The InChIKey is PBRJLVNDQRUBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-3-5-13(15(17)18-4-2)16-12-6-7-14-11(10-12)8-9-19-14/h6-10,13,16H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(1-benzothiophen-5-ylamino)pentanoate?
ethyl 2-(1-benzothiophen-5-ylamino)pentanoate has a molecular weight of 277.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzothiophen-5-ylamino)pentanoate is sourced from PubChem (CID 79040634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).