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

C11H14BrNO4S — CID 18573627

IUPAC5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide
SMILESCCN(C(=O)c1ccc(Br)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14BrNO4S/c1-2-13(8-5-6-18(15,16)7-8)11(14)9-3-4-10(12)17-9/h3-4,8H,2,5-7H2,1H3
InChIKeyZKDXNUXHQYFYDY-UHFFFAOYSA-N
MW336.21 g/mol
LogP1.69
Rot. Bonds3

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

5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide (PubChem CID 18573627) has the molecular formula C11H14BrNO4S and a molecular weight of 336.21 g/mol. Its IUPAC name is 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide
PubChem CID18573627
Molecular FormulaC11H14BrNO4S
Molecular Weight336.21 g/mol
Exact Mass334.98
IUPAC Name5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide
SMILESCCN(C(=O)c1ccc(Br)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14BrNO4S/c1-2-13(8-5-6-18(15,16)7-8)11(14)9-3-4-10(12)17-9/h3-4,8H,2,5-7H2,1H3
InChIKeyZKDXNUXHQYFYDY-UHFFFAOYSA-N
XLogP1.69
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

(5-Bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 2932965
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-isobutylfuran-2-carboxamide
CID 16269000
N-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)furan-2-carboxamide
CID 18573626
1-(5-Bromo-2-Furoyl)Pyrrolidine
CID 729914
5-bromo-N-(4-bromophenyl)-N-(1,1-dioxido-2,3-dihydrothien-3-yl)-2-furamide
CID 3237641
[5-[(4-Bromophenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 5307777
5-bromo-N-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)furan-2-carboxamide
CID 18573628
5-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylfuran-2-carboxamide
CID 2818483
5-bromo-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 2942051
5-bromo-N-methyl-N-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)-2-furamide
CID 2948659
5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 2969028
2-(4-bromophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 3720544

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide (CID 18573627) is 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide is CCN(C(=O)c1ccc(Br)o1)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide?
The InChIKey is ZKDXNUXHQYFYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S/c1-2-13(8-5-6-18(15,16)7-8)11(14)9-3-4-10(12)17-9/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide?
5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide has a molecular weight of 336.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 18573627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).