5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide

C12H18BrNO2S — CID 71869693

IUPAC5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide
SMILESCCSCCC(C)N(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO2S/c1-4-17-8-7-9(2)14(3)12(15)10-5-6-11(13)16-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyZBEJUEBDHGFKTF-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.65
Rot. Bonds6

About 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide

5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide (PubChem CID 71869693) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide
PubChem CID71869693
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide
SMILESCCSCCC(C)N(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO2S/c1-4-17-8-7-9(2)14(3)12(15)10-5-6-11(13)16-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyZBEJUEBDHGFKTF-UHFFFAOYSA-N
XLogP3.65
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-ethylsulfanylbutan-2-yl(methyl)carbamoyl]thiophene-2-carboxylic acid
CID 119187186
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695876
5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 60653081
N-[(2S)-4-ethylsulfanylbutan-2-yl]-N-methylpyridazine-4-carboxamide
CID 97030092
N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 71989380
N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 46551193
5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide
CID 63958932
N-[(2R)-4-ethylsulfanylbutan-2-yl]-N-methylpyrazine-2-carboxamide
CID 95990446
1-(5-bromofuran-2-yl)propan-1-one
CID 14547080
5-bromo-N,N-dibutylfuran-2-carboxamide
CID 3627667
5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60733156
5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide
CID 63393502

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide (CID 71869693) is 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide is CCSCCC(C)N(C)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide?
The InChIKey is ZBEJUEBDHGFKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-4-17-8-7-9(2)14(3)12(15)10-5-6-11(13)16-10/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide?
5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide has a molecular weight of 320.25 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 71869693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).