N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide

C13H11ClN2O2S — CID 17194361

IUPACN-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)NCc1ccccc1Cl)c1ccco1
InChIInChI=1S/C13H11ClN2O2S/c14-10-5-2-1-4-9(10)8-15-13(19)16-12(17)11-6-3-7-18-11/h1-7H,8H2,(H2,15,16,17,19)
InChIKeySLSOUKRMHJVHQE-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.74
Rot. Bonds3

About N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide

N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide (PubChem CID 17194361) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide
PubChem CID17194361
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC NameN-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)NCc1ccccc1Cl)c1ccco1
InChIInChI=1S/C13H11ClN2O2S/c14-10-5-2-1-4-9(10)8-15-13(19)16-12(17)11-6-3-7-18-11/h1-7H,8H2,(H2,15,16,17,19)
InChIKeySLSOUKRMHJVHQE-UHFFFAOYSA-N
XLogP2.74
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.74
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-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
N-[(5-fluoro-2-methylphenyl)methylcarbamothioyl]furan-2-carboxamide
CID 3535012
N-(prop-2-enylcarbamothioyl)furan-2-carboxamide
CID 2294785
N-[2-[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111174405
N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 952249
3-bromo-N-[(2-chlorophenyl)methylcarbamothioyl]benzamide
CID 54791604
N-[(2-chlorophenyl)carbamoyl]furan-2-carboxamide
CID 110866393
2-(2-chlorophenyl)-1-(furan-2-yl)ethanone
CID 61055441
N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide
CID 71859596
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 46625347
methyl 3-[(2-chlorophenyl)methylcarbamothioylcarbamoyl]benzoate
CID 17194463

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide (CID 17194361) is N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide is O=C(NC(=S)NCc1ccccc1Cl)c1ccco1.
What is the InChIKey of N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide?
The InChIKey is SLSOUKRMHJVHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-10-5-2-1-4-9(10)8-15-13(19)16-12(17)11-6-3-7-18-11/h1-7H,8H2,(H2,15,16,17,19).
What are the key properties of N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide?
N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide has a molecular weight of 294.76 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 17194361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).