5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide

C15H15BrN2O2S — CID 4936274

IUPAC5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide
SMILESCCc1cccc(C)c1NC(=S)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN2O2S/c1-3-10-6-4-5-9(2)13(10)17-15(21)18-14(19)11-7-8-12(16)20-11/h4-8H,3H2,1-2H3,(H2,17,18,19,21)
InChIKeyASCWZRWRAUUNBS-UHFFFAOYSA-N
MW367.27 g/mol
LogP4.04
Rot. Bonds3

About 5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide

5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide (PubChem CID 4936274) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide
PubChem CID4936274
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide
SMILESCCc1cccc(C)c1NC(=S)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN2O2S/c1-3-10-6-4-5-9(2)13(10)17-15(21)18-14(19)11-7-8-12(16)20-11/h4-8H,3H2,1-2H3,(H2,17,18,19,21)
InChIKeyASCWZRWRAUUNBS-UHFFFAOYSA-N
XLogP4.04
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 3283056
5-acetamido-N-(2-ethyl-6-methylphenyl)furan-2-carboxamide
CID 110699909
5-bromo-2-ethoxy-N-[(2-ethyl-6-methylphenyl)carbamothioyl]benzamide
CID 17353278
5-bromo-N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 3280655
4-bromo-N-[(2,6-diethylphenyl)carbamothioyl]benzamide
CID 3004250
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782467
N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948796
3-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17352305
3-(2-ethoxyethoxy)-N-[(2-ethyl-6-methylphenyl)carbamothioyl]benzamide
CID 17139933
2-butoxy-N-[(2-ethyl-6-methylphenyl)carbamothioyl]benzamide
CID 4941620
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide (CID 4936274) is 5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide is CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is ASCWZRWRAUUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-3-10-6-4-5-9(2)13(10)17-15(21)18-14(19)11-7-8-12(16)20-11/h4-8H,3H2,1-2H3,(H2,17,18,19,21).
What are the key properties of 5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide?
5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 4936274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).