N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide

C14H14N2O2S — CID 61119424

IUPACN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C14H14N2O2S/c1-9-11(7-8-18-9)14(17)16-12(13(15)19)10-5-3-2-4-6-10/h2-8,12H,1H3,(H2,15,19)(H,16,17)
InChIKeyJCTDQRFSGZGMBF-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.35
Rot. Bonds4

About N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide (PubChem CID 61119424) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide
PubChem CID61119424
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C14H14N2O2S/c1-9-11(7-8-18-9)14(17)16-12(13(15)19)10-5-3-2-4-6-10/h2-8,12H,1H3,(H2,15,19)(H,16,17)
InChIKeyJCTDQRFSGZGMBF-UHFFFAOYSA-N
XLogP2.35
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide
CID 61119426
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide
CID 82809158
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-fluoro-3-methylbenzamide
CID 81481274
(2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid
CID 97337478
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157151
N-(2,2-diphenylethyl)-2-methylfuran-3-carboxamide
CID 78808962
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide
CID 115298723
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide
CID 61121780
N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide
CID 113274151

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide (CID 61119424) is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NC(C(N)=S)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide?
The InChIKey is JCTDQRFSGZGMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9-11(7-8-18-9)14(17)16-12(13(15)19)10-5-3-2-4-6-10/h2-8,12H,1H3,(H2,15,19)(H,16,17).
What are the key properties of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide?
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 61119424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).