2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide

C12H18BrNO2S — CID 106898975

IUPAC2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide
SMILESCCC(CC)(CNC(=O)c1ccoc1Br)SC
InChIInChI=1S/C12H18BrNO2S/c1-4-12(5-2,17-3)8-14-11(15)9-6-7-16-10(9)13/h6-7H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyFDDHEPWZPZBVIS-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.69
Rot. Bonds6

About 2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide

2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide (PubChem CID 106898975) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide
PubChem CID106898975
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide
SMILESCCC(CC)(CNC(=O)c1ccoc1Br)SC
InChIInChI=1S/C12H18BrNO2S/c1-4-12(5-2,17-3)8-14-11(15)9-6-7-16-10(9)13/h6-7H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyFDDHEPWZPZBVIS-UHFFFAOYSA-N
XLogP3.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide
CID 106854343
2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide
CID 106854194
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103709313
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103822118
2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)-5-methylbenzamide
CID 113259213
2-bromo-N-[3-(ethylamino)propyl]furan-3-carboxamide
CID 106855035
2-bromo-N-[3-(chloromethyl)pentan-3-yl]furan-3-carboxamide
CID 106856134
N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
CID 106852672
2-bromo-N-(3-bromopentyl)furan-3-carboxamide
CID 106856213
N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide
CID 103712019
2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide
CID 106854363
N-(5-amino-5-oxopentyl)-2-bromofuran-3-carboxamide
CID 106899036

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide (CID 106898975) is 2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide is CCC(CC)(CNC(=O)c1ccoc1Br)SC.
What is the InChIKey of 2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide?
The InChIKey is FDDHEPWZPZBVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-4-12(5-2,17-3)8-14-11(15)9-6-7-16-10(9)13/h6-7H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide?
2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide has a molecular weight of 320.25 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide is sourced from PubChem (CID 106898975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).