N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide

C18H14BrN3O2S — CID 3897554

IUPACN-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide
SMILESO=C(NC(=S)NNc1ccccc1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H14BrN3O2S/c19-13-8-6-12(7-9-13)15-10-11-16(24-15)17(23)20-18(25)22-21-14-4-2-1-3-5-14/h1-11,21H,(H2,20,22,23,25)
InChIKeyHGLPFHFGGVCCRO-UHFFFAOYSA-N
MW416.30 g/mol
LogP4.34
Rot. Bonds4

About N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide

N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide (PubChem CID 3897554) has the molecular formula C18H14BrN3O2S and a molecular weight of 416.30 g/mol. Its IUPAC name is N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide
PubChem CID3897554
Molecular FormulaC18H14BrN3O2S
Molecular Weight416.30 g/mol
Exact Mass415.00
IUPAC NameN-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide
SMILESO=C(NC(=S)NNc1ccccc1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H14BrN3O2S/c19-13-8-6-12(7-9-13)15-10-11-16(24-15)17(23)20-18(25)22-21-14-4-2-1-3-5-14/h1-11,21H,(H2,20,22,23,25)
InChIKeyHGLPFHFGGVCCRO-UHFFFAOYSA-N
XLogP4.34
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(anilinocarbamothioyl)-5-(4-bromophenyl)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

5-(4-bromophenyl)-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 17115593
5-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)furan-2-carboxamide
CID 17109790
5-(4-chlorophenyl)-N-[(4-nitroanilino)carbamothioyl]furan-2-carboxamide
CID 4540636
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
N-[(3-bromophenyl)carbamothioyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17103816
5-(4-chlorophenyl)-N-[[(2-phenoxyacetyl)amino]carbamothioyl]furan-2-carboxamide
CID 10884485
5-[4-(benzoylcarbamothioylamino)phenyl]furan-2-carboxylic acid
CID 91688386
5-(4-chlorophenyl)-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 17115611
N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689981
N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide
CID 17316302
5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide
CID 1370910
5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide
CID 86020360

Frequently Asked Questions

What is the IUPAC name of N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide?
The IUPAC name of N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide (CID 3897554) is N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide?
The canonical SMILES for N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide is O=C(NC(=S)NNc1ccccc1)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide?
The InChIKey is HGLPFHFGGVCCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2S/c19-13-8-6-12(7-9-13)15-10-11-16(24-15)17(23)20-18(25)22-21-14-4-2-1-3-5-14/h1-11,21H,(H2,20,22,23,25).
What are the key properties of N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide?
N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide has a molecular weight of 416.30 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide is sourced from PubChem (CID 3897554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).