5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide

C12H14BrN3O5S — CID 108571899

IUPAC5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)NCCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H14BrN3O5S/c1-7-11(8(2)21-16-7)22(18,19)15-6-5-14-12(17)9-3-4-10(13)20-9/h3-4,15H,5-6H2,1-2H3,(H,14,17)
InChIKeyATUCAICRFVDFGJ-UHFFFAOYSA-N
MW392.23 g/mol
LogP1.36
Rot. Bonds6

About 5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide

5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide (PubChem CID 108571899) has the molecular formula C12H14BrN3O5S and a molecular weight of 392.23 g/mol. Its IUPAC name is 5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide
PubChem CID108571899
Molecular FormulaC12H14BrN3O5S
Molecular Weight392.23 g/mol
Exact Mass390.98
IUPAC Name5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)NCCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H14BrN3O5S/c1-7-11(8(2)21-16-7)22(18,19)15-6-5-14-12(17)9-3-4-10(13)20-9/h3-4,15H,5-6H2,1-2H3,(H,14,17)
InChIKeyATUCAICRFVDFGJ-UHFFFAOYSA-N
XLogP1.36
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-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

4-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571321
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-4-methylbenzamide
CID 108570686
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571064
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide
CID 108571226
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573316
3-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571403
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide
CID 108574145
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide (CID 108571899) is 5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide is Cc1noc(C)c1S(=O)(=O)NCCNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide?
The InChIKey is ATUCAICRFVDFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O5S/c1-7-11(8(2)21-16-7)22(18,19)15-6-5-14-12(17)9-3-4-10(13)20-9/h3-4,15H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide?
5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide has a molecular weight of 392.23 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 108571899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).