tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate

C17H23NO3S — CID 142473089

IUPACtert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate
SMILESCCOc1ccc2sccc2c1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO3S/c1-5-20-14-6-7-15-13(9-11-22-15)12(14)8-10-18-16(19)21-17(2,3)4/h6-7,9,11H,5,8,10H2,1-4H3,(H,18,19)
InChIKeyOPMGIQPNKZUKRB-UHFFFAOYSA-N
MW321.44 g/mol
LogP4.37
Rot. Bonds5

About tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate

tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate (PubChem CID 142473089) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate
PubChem CID142473089
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Nametert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate
SMILESCCOc1ccc2sccc2c1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO3S/c1-5-20-14-6-7-15-13(9-11-22-15)12(14)8-10-18-16(19)21-17(2,3)4/h6-7,9,11H,5,8,10H2,1-4H3,(H,18,19)
InChIKeyOPMGIQPNKZUKRB-UHFFFAOYSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-(1-benzothiophen-4-yl)carbamate
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tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
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tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate (CID 142473089) is tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate is CCOc1ccc2sccc2c1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate?
The InChIKey is OPMGIQPNKZUKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-5-20-14-6-7-15-13(9-11-22-15)12(14)8-10-18-16(19)21-17(2,3)4/h6-7,9,11H,5,8,10H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate?
tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate has a molecular weight of 321.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate is sourced from PubChem (CID 142473089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).