5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide

C13H11BrN2O2S — CID 62969760

IUPAC5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1cccc(C(N)=S)c1
InChIInChI=1S/C13H11BrN2O2S/c1-16(13(17)10-5-6-11(14)18-10)9-4-2-3-8(7-9)12(15)19/h2-7H,1H3,(H2,15,19)
InChIKeyMFXIBGJFGKFUPP-UHFFFAOYSA-N
MW339.21 g/mol
LogP2.95
Rot. Bonds3

About 5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide

5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide (PubChem CID 62969760) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is 5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide
PubChem CID62969760
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC Name5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)c1cccc(C(N)=S)c1
InChIInChI=1S/C13H11BrN2O2S/c1-16(13(17)10-5-6-11(14)18-10)9-4-2-3-8(7-9)12(15)19/h2-7H,1H3,(H2,15,19)
InChIKeyMFXIBGJFGKFUPP-UHFFFAOYSA-N
XLogP2.95
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-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

5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide
CID 62967031
N-(3-carbamothioylphenyl)-N-methylbenzamide
CID 62969755
N-(3-carbamothioylphenyl)-4-ethyl-N-methylbenzamide
CID 62970983
5-bromo-N-(3-carbamothioylphenyl)-N-methylthiophene-2-carboxamide
CID 62972030
N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide
CID 107703258
N-(3-carbamothioylphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 55141561
2-bromo-N-(3-carbamothioylphenyl)-4-chloro-N-methylbenzamide
CID 107987798
methyl N-(3-carbamothioylphenyl)-N-methylcarbamate
CID 62969639
N-(3-carbamothioylphenyl)-3,4-dichloro-N-methylbenzamide
CID 62969759
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N,5-dimethylfuran-2-carboxamide
CID 76932906
N-(3-carbamothioylphenyl)-N-methylpyridine-2-carboxamide
CID 62970625

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide (CID 62969760) is 5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide is CN(C(=O)c1ccc(Br)o1)c1cccc(C(N)=S)c1.
What is the InChIKey of 5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide?
The InChIKey is MFXIBGJFGKFUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c1-16(13(17)10-5-6-11(14)18-10)9-4-2-3-8(7-9)12(15)19/h2-7H,1H3,(H2,15,19).
What are the key properties of 5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide?
5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide has a molecular weight of 339.21 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 62969760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).