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

C12H8Cl2N2O2S — CID 952249

IUPACN-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccco1
InChIInChI=1S/C12H8Cl2N2O2S/c13-7-3-1-4-8(10(7)14)15-12(19)16-11(17)9-5-2-6-18-9/h1-6H,(H2,15,16,17,19)
InChIKeyXJSMPILAFHBRIX-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.71
Rot. Bonds2

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

N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide (PubChem CID 952249) has the molecular formula C12H8Cl2N2O2S and a molecular weight of 315.18 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide
PubChem CID952249
Molecular FormulaC12H8Cl2N2O2S
Molecular Weight315.18 g/mol
Exact Mass313.97
IUPAC NameN-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccco1
InChIInChI=1S/C12H8Cl2N2O2S/c13-7-3-1-4-8(10(7)14)15-12(19)16-11(17)9-5-2-6-18-9/h1-6H,(H2,15,16,17,19)
InChIKeyXJSMPILAFHBRIX-UHFFFAOYSA-N
XLogP3.71
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.71
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

N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 1125144
N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 2235526
N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide
CID 801553
N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)furan-2-carboxamide
CID 739009
N-[4-[(2-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57081310
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 1344884
N-[(2-chlorophenyl)carbamoyl]furan-2-carboxamide
CID 110866393
5-(2,3-dichlorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1395615
5-(2,3-dichlorophenyl)-N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
CID 17335701
N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide
CID 17194361
N-[(4-bromo-2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 3322322
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide (CID 952249) is N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide is O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccco1.
What is the InChIKey of N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is XJSMPILAFHBRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2S/c13-7-3-1-4-8(10(7)14)15-12(19)16-11(17)9-5-2-6-18-9/h1-6H,(H2,15,16,17,19).
What are the key properties of N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide?
N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 315.18 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 952249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).