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

C14H14N2O2S — CID 107805578

IUPACN-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2C(N)=S)co1
InChIInChI=1S/C14H14N2O2S/c1-8-4-3-5-11(12(8)13(15)19)16-14(17)10-6-9(2)18-7-10/h3-7H,1-2H3,(H2,15,19)(H,16,17)
InChIKeyVYFOQZRJUZGPOW-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.78
Rot. Bonds3

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

N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide (PubChem CID 107805578) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide
PubChem CID107805578
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2C(N)=S)co1
InChIInChI=1S/C14H14N2O2S/c1-8-4-3-5-11(12(8)13(15)19)16-14(17)10-6-9(2)18-7-10/h3-7H,1-2H3,(H2,15,19)(H,16,17)
InChIKeyVYFOQZRJUZGPOW-UHFFFAOYSA-N
XLogP2.78
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.78
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-3-methylphenyl)benzamide
CID 107805642
N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
CID 107805537
3-bromo-N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805603
N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 114820906
N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 107805792
(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(2-carbamothioyl-3-methylphenyl)pyridazine-4-carboxamide
CID 107805688
N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide
CID 107805746
N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 107805517
N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
CID 107805808
N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide
CID 107805757
N-(2-carbamothioyl-3-methylphenyl)-2,5-difluorobenzamide
CID 107805515

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide (CID 107805578) is N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2cccc(C)c2C(N)=S)co1.
What is the InChIKey of N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide?
The InChIKey is VYFOQZRJUZGPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8-4-3-5-11(12(8)13(15)19)16-14(17)10-6-9(2)18-7-10/h3-7H,1-2H3,(H2,15,19)(H,16,17).
What are the key properties of N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide?
N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 107805578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).