N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide

C15H16N2O3S — CID 6877510

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(CSCC(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C15H16N2O3S/c1-19-13-6-4-12(5-7-13)10-21-11-15(18)17-16-9-14-3-2-8-20-14/h2-9H,10-11H2,1H3,(H,17,18)/b16-9+
InChIKeyNUEFKSOJZYWVQL-CXUHLZMHSA-N
MW304.37 g/mol
LogP2.67
Rot. Bonds7

About N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide

N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide (PubChem CID 6877510) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
PubChem CID6877510
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(CSCC(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C15H16N2O3S/c1-19-13-6-4-12(5-7-13)10-21-11-15(18)17-16-9-14-3-2-8-20-14/h2-9H,10-11H2,1H3,(H,17,18)/b16-9+
InChIKeyNUEFKSOJZYWVQL-CXUHLZMHSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-furan-2-ylmethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 6896656
N-(furan-2-ylmethyl)-2-[4-[[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 4027048
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
2-(4-ethylphenyl)-N-(furan-2-ylmethylideneamino)acetamide
CID 165354335
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 53279533
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126120947
N-[(Z)-furan-2-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5405073
2-(4-fluorophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5368979
N-[[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 3128310
N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 3584762

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide (CID 6877510) is N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide is COc1ccc(CSCC(=O)N/N=C/c2ccco2)cc1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The InChIKey is NUEFKSOJZYWVQL-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-19-13-6-4-12(5-7-13)10-21-11-15(18)17-16-9-14-3-2-8-20-14/h2-9H,10-11H2,1H3,(H,17,18)/b16-9+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide has a molecular weight of 304.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 6877510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).