5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide

C14H13BrN2O2S — CID 62967031

IUPAC5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1cccc(C(N)=S)c1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C14H13BrN2O2S/c1-17(14(18)11-5-6-12(15)19-11)8-9-3-2-4-10(7-9)13(16)20/h2-7H,8H2,1H3,(H2,16,20)
InChIKeyBRCMUKZUNNXTBZ-UHFFFAOYSA-N
MW353.24 g/mol
LogP2.95
Rot. Bonds4

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

5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide (PubChem CID 62967031) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide
PubChem CID62967031
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1cccc(C(N)=S)c1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C14H13BrN2O2S/c1-17(14(18)11-5-6-12(15)19-11)8-9-3-2-4-10(7-9)13(16)20/h2-7H,8H2,1H3,(H2,16,20)
InChIKeyBRCMUKZUNNXTBZ-UHFFFAOYSA-N
XLogP2.95
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
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)methyl]-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)-N-methylfuran-2-carboxamide
CID 62969760
2,5-dibromo-N-[(3-carbamothioylphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 107961783
methyl N-[(3-carbamothioylphenyl)methyl]-N-methylcarbamate
CID 62967038
N-[(3-carbamothioylphenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 102921851
N-[(3-carbamothioylphenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 65239101
5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 60794455
N-[(3-carbamothioylphenyl)methyl]-N-methylheptanamide
CID 114752780
N-[(3-carbamothioylphenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 81121564
N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 55141357
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112602723
5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 60631156

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide (CID 62967031) is 5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide is CN(Cc1cccc(C(N)=S)c1)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is BRCMUKZUNNXTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-17(14(18)11-5-6-12(15)19-11)8-9-3-2-4-10(7-9)13(16)20/h2-7H,8H2,1H3,(H2,16,20).
What are the key properties of 5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide?
5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 353.24 g/mol, XLogP of 2.95, 4 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)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 62967031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).