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

C13H14FNO2S — CID 66803935

IUPACethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate
SMILESCCOC(=O)NCCc1cc2cc(F)ccc2s1
InChIInChI=1S/C13H14FNO2S/c1-2-17-13(16)15-6-5-11-8-9-7-10(14)3-4-12(9)18-11/h3-4,7-8H,2,5-6H2,1H3,(H,15,16)
InChIKeyRBRKWOPAMBXSNO-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.33
Rot. Bonds4

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

ethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate (PubChem CID 66803935) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate
PubChem CID66803935
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Nameethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate
SMILESCCOC(=O)NCCc1cc2cc(F)ccc2s1
InChIInChI=1S/C13H14FNO2S/c1-2-17-13(16)15-6-5-11-8-9-7-10(14)3-4-12(9)18-11/h3-4,7-8H,2,5-6H2,1H3,(H,15,16)
InChIKeyRBRKWOPAMBXSNO-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(5-fluorobenzo[b]thiophen-3-yl)ethyl)acetamide
CID 53231465
3-(2-Acetylaminoethyl)benzo[b]thiophene
CID 10798921
[2-(5-Fluoro-benzo[b]thiophen-3-yl)-ethyl]-carbamic acid ethyl ester
CID 89964025
N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide
CID 135200245
2-(6-Fluoro-1-benzothiophen-4-yl)ethylcarbamic acid
CID 135380973
2-[7-(Trifluoromethyl)-1-benzothiophen-5-yl]ethylcarbamic acid
CID 135381428
2-(4-Fluoro-1-benzothiophen-5-yl)ethylcarbamic acid
CID 135381438
2-(7-Fluoro-1-benzothiophen-5-yl)ethylcarbamic acid
CID 135381549
tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate
CID 139696810
ethyl 6-fluoro-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate
CID 141521172
tert-butyl N-[2-(2-cyano-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethyl]carbamate
CID 142472655
tert-butyl N-[2-(7-fluoro-1-benzothiophen-5-yl)ethyl]carbamate
CID 142472771

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate (CID 66803935) is ethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate is CCOC(=O)NCCc1cc2cc(F)ccc2s1.
What is the InChIKey of ethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate?
The InChIKey is RBRKWOPAMBXSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c1-2-17-13(16)15-6-5-11-8-9-7-10(14)3-4-12(9)18-11/h3-4,7-8H,2,5-6H2,1H3,(H,15,16).
What are the key properties of ethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate?
ethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate has a molecular weight of 267.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(5-fluoro-1-benzothiophen-2-yl)ethyl]carbamate is sourced from PubChem (CID 66803935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).