5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide

C20H16Cl2N2O2S — CID 22777171

IUPAC5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
SMILESCc1cc(C)cc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C20H16Cl2N2O2S/c1-11-7-12(2)9-14(8-11)23-20(27)24-19(25)18-6-5-17(26-18)15-4-3-13(21)10-16(15)22/h3-10H,1-2H3,(H2,23,24,25,27)
InChIKeyKIJOGDHCGWZOPO-UHFFFAOYSA-N
MW419.33 g/mol
LogP6.00
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide

5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide (PubChem CID 22777171) has the molecular formula C20H16Cl2N2O2S and a molecular weight of 419.33 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
PubChem CID22777171
Molecular FormulaC20H16Cl2N2O2S
Molecular Weight419.33 g/mol
Exact Mass418.03
IUPAC Name5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
SMILESCc1cc(C)cc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C20H16Cl2N2O2S/c1-11-7-12(2)9-14(8-11)23-20(27)24-19(25)18-6-5-17(26-18)15-4-3-13(21)10-16(15)22/h3-10H,1-2H3,(H2,23,24,25,27)
InChIKeyKIJOGDHCGWZOPO-UHFFFAOYSA-N
XLogP6.00
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.33
LogP ≤ 56.00
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-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
5-(2,4-dichlorophenyl)-N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide
CID 3450277
N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17318351
N-[(2-cyanophenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 22776568
N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 5094011
5-(2,4-dichlorophenyl)-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 17115574
5-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 3283056
N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17314404
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
5-chloro-N-[(3,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 1121132
N-(1-adamantylcarbamothioyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17109830
N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 17115679

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide (CID 22777171) is 5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide is Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is KIJOGDHCGWZOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2S/c1-11-7-12(2)9-14(8-11)23-20(27)24-19(25)18-6-5-17(26-18)15-4-3-13(21)10-16(15)22/h3-10H,1-2H3,(H2,23,24,25,27).
What are the key properties of 5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide?
5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 419.33 g/mol, XLogP of 6.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 22777171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).