5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide

C10H12BrNO2S — CID 131142474

IUPAC5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide
SMILESCC1SCCC1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H12BrNO2S/c1-6-7(4-5-15-6)12-10(13)8-2-3-9(11)14-8/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyMDXAYQIKUNAEBJ-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.67
Rot. Bonds2

About 5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide

5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide (PubChem CID 131142474) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide
PubChem CID131142474
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide
SMILESCC1SCCC1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H12BrNO2S/c1-6-7(4-5-15-6)12-10(13)8-2-3-9(11)14-8/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyMDXAYQIKUNAEBJ-UHFFFAOYSA-N
XLogP2.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide
CID 130748381
5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide
CID 130700415
N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
CID 93452199
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide
CID 106367301
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
methyl 4-[(5-bromofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 112690033
5-bromo-N-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7976083
5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
CID 103966929
5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide
CID 79879003
5-bromo-N-(1-cyclopropylethyl)furan-2-carboxamide
CID 60668708

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide (CID 131142474) is 5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide is CC1SCCC1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide?
The InChIKey is MDXAYQIKUNAEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-6-7(4-5-15-6)12-10(13)8-2-3-9(11)14-8/h2-3,6-7H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide?
5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide has a molecular weight of 290.18 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 131142474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).