N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide

C19H11Cl2N3O2S — CID 22776568

IUPACN-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESN#Cc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H11Cl2N3O2S/c20-12-5-6-13(14(21)9-12)16-7-8-17(26-16)18(25)24-19(27)23-15-4-2-1-3-11(15)10-22/h1-9H,(H2,23,24,25,27)
InChIKeyIJXLRLVYYQSFFO-UHFFFAOYSA-N
MW416.29 g/mol
LogP5.25
Rot. Bonds3

About N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide

N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 22776568) has the molecular formula C19H11Cl2N3O2S and a molecular weight of 416.29 g/mol. Its IUPAC name is N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
PubChem CID22776568
Molecular FormulaC19H11Cl2N3O2S
Molecular Weight416.29 g/mol
Exact Mass414.99
IUPAC NameN-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESN#Cc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H11Cl2N3O2S/c20-12-5-6-13(14(21)9-12)16-7-8-17(26-16)18(25)24-19(27)23-15-4-2-1-3-11(15)10-22/h1-9H,(H2,23,24,25,27)
InChIKeyIJXLRLVYYQSFFO-UHFFFAOYSA-N
XLogP5.25
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.29
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)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

(E)-N-[(2-cyanophenyl)carbamothioyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17103641
5-(2-chlorophenyl)-N-(2-cyanophenyl)furan-2-carboxamide
CID 944882
5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 22777171
N-[(2-cyanophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3938599
4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide
CID 832792
N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17317422
N-(2-cyanophenyl)-5-(2,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 7464368
5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 2065633
N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 5094011
N-(1-adamantylcarbamothioyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17109830
5-(2,4-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide
CID 3447887
N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17314404

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide (CID 22776568) is N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide is N#Cc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is IJXLRLVYYQSFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3O2S/c20-12-5-6-13(14(21)9-12)16-7-8-17(26-16)18(25)24-19(27)23-15-4-2-1-3-11(15)10-22/h1-9H,(H2,23,24,25,27).
What are the key properties of N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 416.29 g/mol, XLogP of 5.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 22776568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).