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

C14H14N2O2S — CID 61119426

IUPACN-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C14H14N2O2S/c1-9-7-8-18-12(9)14(17)16-11(13(15)19)10-5-3-2-4-6-10/h2-8,11H,1H3,(H2,15,19)(H,16,17)
InChIKeyBGRZBFVKYPXBOM-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.35
Rot. Bonds4

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

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide (PubChem CID 61119426) 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)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide
PubChem CID61119426
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C14H14N2O2S/c1-9-7-8-18-12(9)14(17)16-11(13(15)19)10-5-3-2-4-6-10/h2-8,11H,1H3,(H2,15,19)(H,16,17)
InChIKeyBGRZBFVKYPXBOM-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)-3-methylfuran-2-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)-2-methylfuran-3-carboxamide
CID 61119424
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-fluoro-3-methylbenzamide
CID 81481274
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157151
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide
CID 82809158
3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883833
N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 63753408
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide
CID 61121780
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide
CID 82984600
N-(2-amino-1-phenyl-2-sulfanylideneethyl)pyrimidine-5-carboxamide
CID 102921830
3-methyl-N-[(1S)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-2-carboxamide
CID 124847738

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide (CID 61119426) is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC(C(N)=S)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide?
The InChIKey is BGRZBFVKYPXBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9-7-8-18-12(9)14(17)16-11(13(15)19)10-5-3-2-4-6-10/h2-8,11H,1H3,(H2,15,19)(H,16,17).
What are the key properties of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide?
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-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)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 61119426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).