5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide

C11H17BrN2O5S — CID 65388437

IUPAC5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide
SMILESCCCCOCCNC(=O)c1cc(S(N)(=O)=O)c(Br)o1
InChIInChI=1S/C11H17BrN2O5S/c1-2-3-5-18-6-4-14-11(15)8-7-9(10(12)19-8)20(13,16)17/h7H,2-6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyMVPBXAOZLAXDMX-UHFFFAOYSA-N
MW369.24 g/mol
LogP1.24
Rot. Bonds8

About 5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide

5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide (PubChem CID 65388437) has the molecular formula C11H17BrN2O5S and a molecular weight of 369.24 g/mol. Its IUPAC name is 5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide
PubChem CID65388437
Molecular FormulaC11H17BrN2O5S
Molecular Weight369.24 g/mol
Exact Mass368.00
IUPAC Name5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide
SMILESCCCCOCCNC(=O)c1cc(S(N)(=O)=O)c(Br)o1
InChIInChI=1S/C11H17BrN2O5S/c1-2-3-5-18-6-4-14-11(15)8-7-9(10(12)19-8)20(13,16)17/h7H,2-6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyMVPBXAOZLAXDMX-UHFFFAOYSA-N
XLogP1.24
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]furan-2-carboxamide
CID 79359692
hexyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65382703
2-bromo-5-[2-(3-methylbutoxy)ethylcarbamoyl]furan-3-sulfonyl chloride
CID 65395844
5-bromo-N-(2-methylbutyl)-4-sulfamoylfuran-2-carboxamide
CID 65388655
5-bromo-N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 79558158
2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 103181676
2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65381468
5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide
CID 65387670
5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 113484536
5-bromo-N-(2-ethoxyethyl)-N-methyl-4-sulfamoylfuran-2-carboxamide
CID 81074713
5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide
CID 113458101
5-bromo-N-(2-methoxyethyl)-N-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387444

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide (CID 65388437) is 5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide is CCCCOCCNC(=O)c1cc(S(N)(=O)=O)c(Br)o1.
What is the InChIKey of 5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide?
The InChIKey is MVPBXAOZLAXDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O5S/c1-2-3-5-18-6-4-14-11(15)8-7-9(10(12)19-8)20(13,16)17/h7H,2-6H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide?
5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide has a molecular weight of 369.24 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 65388437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).