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

C13H11ClN2O2S — CID 64915208

IUPACN-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1C(N)=S
InChIInChI=1S/C13H11ClN2O2S/c1-7-9(4-5-18-7)13(17)16-11-6-8(14)2-3-10(11)12(15)19/h2-6H,1H3,(H2,15,19)(H,16,17)
InChIKeyUOLGNAODOPSKGI-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.13
Rot. Bonds3

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

N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide (PubChem CID 64915208) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
PubChem CID64915208
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC NameN-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1C(N)=S
InChIInChI=1S/C13H11ClN2O2S/c1-7-9(4-5-18-7)13(17)16-11-6-8(14)2-3-10(11)12(15)19/h2-6H,1H3,(H2,15,19)(H,16,17)
InChIKeyUOLGNAODOPSKGI-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)-3-methylfuran-2-carboxamide
CID 64917019
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119629869
N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119643217
N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide
CID 62318069
N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 119433464
2-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 81110952
N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119508711
N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide
CID 119453527
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide
CID 119656291
N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide
CID 28538198
N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide
CID 106684980

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide (CID 64915208) is N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(Cl)ccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is UOLGNAODOPSKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-7-9(4-5-18-7)13(17)16-11-6-8(14)2-3-10(11)12(15)19/h2-6H,1H3,(H2,15,19)(H,16,17).
What are the key properties of N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide?
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-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)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 64915208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).