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

C18H10Cl4N2O2S — CID 2065633

IUPAC5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C18H10Cl4N2O2S/c19-9-4-5-11(20)13(8-9)23-18(27)24-17(25)15-7-6-14(26-15)10-2-1-3-12(21)16(10)22/h1-8H,(H2,23,24,25,27)
InChIKeyKCWLWCWWYZTUND-UHFFFAOYSA-N
MW460.17 g/mol
LogP6.69
Rot. Bonds3

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

5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide (PubChem CID 2065633) has the molecular formula C18H10Cl4N2O2S and a molecular weight of 460.17 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide
PubChem CID2065633
Molecular FormulaC18H10Cl4N2O2S
Molecular Weight460.17 g/mol
Exact Mass457.92
IUPAC Name5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C18H10Cl4N2O2S/c19-9-4-5-11(20)13(8-9)23-18(27)24-17(25)15-7-6-14(26-15)10-2-1-3-12(21)16(10)22/h1-8H,(H2,23,24,25,27)
InChIKeyKCWLWCWWYZTUND-UHFFFAOYSA-N
XLogP6.69
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.17
LogP ≤ 56.69
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-(2,3-dichlorophenyl)-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 23095039
5-(2,3-dichlorophenyl)-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1396155
N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 91687558
N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1395394
N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 17115679
5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1395615
5-(2,3-dichlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide
CID 17313884
5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
CID 17335701
5-(2,3-dichlorophenyl)-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 4010622
5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 22777171
N-(2-benzoyl-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 2066709
N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3673672

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide (CID 2065633) is 5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide is O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is KCWLWCWWYZTUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl4N2O2S/c19-9-4-5-11(20)13(8-9)23-18(27)24-17(25)15-7-6-14(26-15)10-2-1-3-12(21)16(10)22/h1-8H,(H2,23,24,25,27).
What are the key properties of 5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide?
5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 460.17 g/mol, XLogP of 6.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 2065633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).