5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide

C11H14BrNO4S — CID 2948659

IUPAC5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H14BrNO4S/c1-11(5-6-18(15,16)7-11)13(2)10(14)8-3-4-9(12)17-8/h3-4H,5-7H2,1-2H3
InChIKeyHEOXYIBXJPCHBC-UHFFFAOYSA-N
MW336.21 g/mol
LogP1.69
Rot. Bonds2

About 5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide

5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide (PubChem CID 2948659) has the molecular formula C11H14BrNO4S and a molecular weight of 336.21 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
PubChem CID2948659
Molecular FormulaC11H14BrNO4S
Molecular Weight336.21 g/mol
Exact Mass334.98
IUPAC Name5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H14BrNO4S/c1-11(5-6-18(15,16)7-11)13(2)10(14)8-3-4-9(12)17-8/h3-4H,5-7H2,1-2H3
InChIKeyHEOXYIBXJPCHBC-UHFFFAOYSA-N
XLogP1.69
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide (CID 2948659) is 5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide is CN(C(=O)c1ccc(Br)o1)C1(C)CCS(=O)(=O)C1.
What is the InChIKey of 5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The InChIKey is HEOXYIBXJPCHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S/c1-11(5-6-18(15,16)7-11)13(2)10(14)8-3-4-9(12)17-8/h3-4H,5-7H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide?
5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide has a molecular weight of 336.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 2948659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).