2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide

C10H14BrNO2S — CID 106854343

IUPAC2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide
SMILESCSC(C)(C)CNC(=O)c1ccoc1Br
InChIInChI=1S/C10H14BrNO2S/c1-10(2,15-3)6-12-9(13)7-4-5-14-8(7)11/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyMKBWSZVTGQWMCK-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.91
Rot. Bonds4

About 2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide

2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide (PubChem CID 106854343) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide
PubChem CID106854343
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide
SMILESCSC(C)(C)CNC(=O)c1ccoc1Br
InChIInChI=1S/C10H14BrNO2S/c1-10(2,15-3)6-12-9(13)7-4-5-14-8(7)11/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyMKBWSZVTGQWMCK-UHFFFAOYSA-N
XLogP2.91
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide
CID 106898975
2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide
CID 106854194
5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide
CID 115665099
4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113342883
2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide
CID 106854363
2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113478497
2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
2-bromo-N-(2-chloro-3-methylbutyl)furan-3-carboxamide
CID 106856206
2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
CID 106852493
2-bromo-N-[3-(ethylamino)propyl]furan-3-carboxamide
CID 106855035
N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
CID 106852672
4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115734394

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide (CID 106854343) is 2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide is CSC(C)(C)CNC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide?
The InChIKey is MKBWSZVTGQWMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-10(2,15-3)6-12-9(13)7-4-5-14-8(7)11/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of 2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide?
2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide is sourced from PubChem (CID 106854343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).