ethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate

C9H12BrNO2S — CID 66803815

IUPACethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C9H12BrNO2S/c1-2-13-9(12)11-6-5-7-3-4-8(10)14-7/h3-4H,2,5-6H2,1H3,(H,11,12)
InChIKeyBFUOVNSCUAEHDW-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.80
Rot. Bonds4

About ethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate

ethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate (PubChem CID 66803815) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is ethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate
PubChem CID66803815
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC Nameethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C9H12BrNO2S/c1-2-13-9(12)11-6-5-7-3-4-8(10)14-7/h3-4H,2,5-6H2,1H3,(H,11,12)
InChIKeyBFUOVNSCUAEHDW-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl ((5-bromothiophen-2-yl)methyl)carbamate
CID 2779810
tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate
CID 46739291
tert-Butyl (2-(5-bromothiophen-2-yl)ethyl)carbamate
CID 71819660
2,2,2-trifluoroethyl N-[2-(thiophen-2-yl)ethyl]carbamate
CID 45792051
tert-Butyl ((5-bromo-3-fluorothiophen-2-yl)methyl)carbamate
CID 130358242
2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]carbamate
CID 61779605
2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 64687363
2,2,2-trifluoroethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate
CID 113227082
n-(2-(5-Bromothiophen-2-yl)ethyl)-3-methylbut-2-enamide
CID 47020173
Ethyl 2-(thiophen-2-yl)ethylcarbamate
CID 10867324
3-[2-(5-Bromothiophen-2-yl)ethyl]-4-methyl-1,3-oxazolidin-2-one
CID 17851446
ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate
CID 20824634

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate (CID 66803815) is ethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate is CCOC(=O)NCCc1ccc(Br)s1.
What is the InChIKey of ethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate?
The InChIKey is BFUOVNSCUAEHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-2-13-9(12)11-6-5-7-3-4-8(10)14-7/h3-4H,2,5-6H2,1H3,(H,11,12).
What are the key properties of ethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate?
ethyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate has a molecular weight of 278.17 g/mol, XLogP of 2.80, 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-bromothiophen-2-yl)ethyl]carbamate is sourced from PubChem (CID 66803815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).