N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide

C13H11N3O3S — CID 801553

IUPACN-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide
SMILESNC(=O)c1ccccc1NC(=S)NC(=O)c1ccco1
InChIInChI=1S/C13H11N3O3S/c14-11(17)8-4-1-2-5-9(8)15-13(20)16-12(18)10-6-3-7-19-10/h1-7H,(H2,14,17)(H2,15,16,18,20)
InChIKeyKDWZKECKKFGDJB-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.51
Rot. Bonds3

About N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide

N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide (PubChem CID 801553) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide
PubChem CID801553
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide
SMILESNC(=O)c1ccccc1NC(=S)NC(=O)c1ccco1
InChIInChI=1S/C13H11N3O3S/c14-11(17)8-4-1-2-5-9(8)15-13(20)16-12(18)10-6-3-7-19-10/h1-7H,(H2,14,17)(H2,15,16,18,20)
InChIKeyKDWZKECKKFGDJB-UHFFFAOYSA-N
XLogP1.51
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 17086908
N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 4939517
N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 952249
N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 2235526
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907
N-[[(2-bromobenzoyl)amino]carbamothioyl]furan-2-carboxamide
CID 4925068
2-[(4-fluorobenzoyl)carbamothioylamino]benzamide
CID 2245625
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 1344884
N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)furan-2-carboxamide
CID 739009
N-[(4-bromo-2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 3322322
2-[[2-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 19628378

Frequently Asked Questions

What is the IUPAC name of N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide (CID 801553) is N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide is NC(=O)c1ccccc1NC(=S)NC(=O)c1ccco1.
What is the InChIKey of N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is KDWZKECKKFGDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c14-11(17)8-4-1-2-5-9(8)15-13(20)16-12(18)10-6-3-7-19-10/h1-7H,(H2,14,17)(H2,15,16,18,20).
What are the key properties of N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide?
N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 801553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).