N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide

C13H11ClN2O2S — CID 64917019

IUPACN-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cc(Cl)ccc1C(N)=S
InChIInChI=1S/C13H11ClN2O2S/c1-7-4-5-18-11(7)13(17)16-10-6-8(14)2-3-9(10)12(15)19/h2-6H,1H3,(H2,15,19)(H,16,17)
InChIKeyBNAWLPVRGDIDAO-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.13
Rot. Bonds3

About N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide

N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide (PubChem CID 64917019) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide
PubChem CID64917019
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC NameN-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cc(Cl)ccc1C(N)=S
InChIInChI=1S/C13H11ClN2O2S/c1-7-4-5-18-11(7)13(17)16-10-6-8(14)2-3-9(10)12(15)19/h2-6H,1H3,(H2,15,19)(H,16,17)
InChIKeyBNAWLPVRGDIDAO-UHFFFAOYSA-N
XLogP3.13
TPSA68.26 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 ≤ 53.13
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-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide
CID 106684980
2-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 81110952
3-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 104851591
N-(2-carbamothioyl-5-chlorophenyl)-4-ethylbenzamide
CID 64916815
1-tert-butyl-3-(2-carbamothioyl-5-chlorophenyl)urea
CID 64917889
N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide
CID 104670500
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide
CID 79499856
N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155869
N-(2-carbamothioyl-5-chlorophenyl)-2,2-dimethylbutanamide
CID 64915596
N-(2-carbamothioyl-5-chlorophenyl)-3-methylimidazole-4-carboxamide
CID 103511023
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide (CID 64917019) is N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1cc(Cl)ccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide?
The InChIKey is BNAWLPVRGDIDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-7-4-5-18-11(7)13(17)16-10-6-8(14)2-3-9(10)12(15)19/h2-6H,1H3,(H2,15,19)(H,16,17).
What are the key properties of N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide?
N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide has a molecular weight of 294.76 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 64917019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).