N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide

C14H14N2O2S — CID 923050

IUPACN-[benzyl(methyl)carbamothioyl]furan-2-carboxamide
SMILESCN(Cc1ccccc1)C(=S)NC(=O)c1ccco1
InChIInChI=1S/C14H14N2O2S/c1-16(10-11-6-3-2-4-7-11)14(19)15-13(17)12-8-5-9-18-12/h2-9H,10H2,1H3,(H,15,17,19)
InChIKeyIUIKTEWYKQCTTF-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.43
Rot. Bonds3

About N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide

N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide (PubChem CID 923050) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[benzyl(methyl)carbamothioyl]furan-2-carboxamide
PubChem CID923050
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-[benzyl(methyl)carbamothioyl]furan-2-carboxamide
SMILESCN(Cc1ccccc1)C(=S)NC(=O)c1ccco1
InChIInChI=1S/C14H14N2O2S/c1-16(10-11-6-3-2-4-7-11)14(19)15-13(17)12-8-5-9-18-12/h2-9H,10H2,1H3,(H,15,17,19)
InChIKeyIUIKTEWYKQCTTF-UHFFFAOYSA-N
XLogP2.43
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide
CID 19187806
N-[methyl(phenyl)carbamoyl]furan-2-carboxamide
CID 110866312
N-[ethyl(2-methylprop-2-enyl)carbamothioyl]furan-2-carboxamide
CID 3695601
N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide
CID 110389834
N'-benzyl-N'-phenylfuran-2-carbohydrazide
CID 18884695
N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide
CID 101020572
N-[benzyl(methyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937286
N-[(2S)-1-[(4-ethylphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31234949
N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide
CID 1159803
N-[[(2S)-4-phenylbutan-2-yl]carbamothioyl]furan-2-carboxamide
CID 2429752
1,3-dibenzyl-1-methylthiourea
CID 3811555

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide (CID 923050) is N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide is CN(Cc1ccccc1)C(=S)NC(=O)c1ccco1.
What is the InChIKey of N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is IUIKTEWYKQCTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-16(10-11-6-3-2-4-7-11)14(19)15-13(17)12-8-5-9-18-12/h2-9H,10H2,1H3,(H,15,17,19).
What are the key properties of N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide?
N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 923050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).