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

C15H18FNO2S — CID 142472947

IUPACtert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc2sccc2c1F
InChIInChI=1S/C15H18FNO2S/c1-15(2,3)19-14(18)17-8-6-10-4-5-12-11(13(10)16)7-9-20-12/h4-5,7,9H,6,8H2,1-3H3,(H,17,18)
InChIKeyDEVIAOMTCATJEA-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.11
Rot. Bonds3

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

tert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate (PubChem CID 142472947) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate
PubChem CID142472947
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Nametert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc2sccc2c1F
InChIInChI=1S/C15H18FNO2S/c1-15(2,3)19-14(18)17-8-6-10-4-5-12-11(13(10)16)7-9-20-12/h4-5,7,9H,6,8H2,1-3H3,(H,17,18)
InChIKeyDEVIAOMTCATJEA-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S22153
CID 9816339
N-(2-(5-fluorobenzo[b]thiophen-3-yl)ethyl)acetamide
CID 53231465
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide
CID 21469682
1-[2-(5-Ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea
CID 21469690
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide
CID 21469691
1-[2-(5-Ethyl-1-benzothiophen-3-yl)ethyl]-3-propylurea
CID 21469693
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-2,2,2-trifluoroacetamide
CID 21469694
Tert-butyl 4-(6-fluoro-1-benzothiophen-3-yl)piperidine-1-carboxylate
CID 58817767
Ethyl 2-(5-fluorobenzo[b]thiophen-2-yl)ethylcarbamate
CID 66803935
Tert-butyl 4-(6-fluoro-1-benzothiophen-7-yl)-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate
CID 69833790
tert-butyl N-[4-(6-fluoro-1-benzothiophen-3-yl)heptan-2-yl]-N-methylcarbamate
CID 71057370
[2-(5-Fluoro-benzo[b]thiophen-3-yl)-ethyl]-carbamic acid ethyl ester
CID 89964025

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate (CID 142472947) is tert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccc2sccc2c1F.
What is the InChIKey of tert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate?
The InChIKey is DEVIAOMTCATJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-15(2,3)19-14(18)17-8-6-10-4-5-12-11(13(10)16)7-9-20-12/h4-5,7,9H,6,8H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate?
tert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-fluoro-1-benzothiophen-5-yl)ethyl]carbamate is sourced from PubChem (CID 142472947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).