N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide

C14H16N2O2S — CID 43125023

IUPACN-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
SMILESCC(SCc1ccco1)C(=O)Nc1ccccc1N
InChIInChI=1S/C14H16N2O2S/c1-10(19-9-11-5-4-8-18-11)14(17)16-13-7-3-2-6-12(13)15/h2-8,10H,9,15H2,1H3,(H,16,17)
InChIKeyLIAMRXKJKQQTKU-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.12
Rot. Bonds5

About N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide

N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide (PubChem CID 43125023) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
PubChem CID43125023
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
SMILESCC(SCc1ccco1)C(=O)Nc1ccccc1N
InChIInChI=1S/C14H16N2O2S/c1-10(19-9-11-5-4-8-18-11)14(17)16-13-7-3-2-6-12(13)15/h2-8,10H,9,15H2,1H3,(H,16,17)
InChIKeyLIAMRXKJKQQTKU-UHFFFAOYSA-N
XLogP3.12
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
CID 23970430
N-(3-amino-4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125053
N-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 23772372
N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 78761678
N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide
CID 107748924
N-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43082939
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317708
2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 112781027
N-(2-aminophenyl)-2-(oxetan-3-ylsulfanyl)propanamide
CID 79326942
2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25045381
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The IUPAC name of N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide (CID 43125023) is N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide is CC(SCc1ccco1)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The InChIKey is LIAMRXKJKQQTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10(19-9-11-5-4-8-18-11)14(17)16-13-7-3-2-6-12(13)15/h2-8,10H,9,15H2,1H3,(H,16,17).
What are the key properties of N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide has a molecular weight of 276.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 43125023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).