N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide

C18H23NO4S — CID 86940542

IUPACN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide
SMILESCCOCCOCc1cccc(CNC(=O)c2ccc(SC)o2)c1
InChIInChI=1S/C18H23NO4S/c1-3-21-9-10-22-13-15-6-4-5-14(11-15)12-19-18(20)16-7-8-17(23-16)24-2/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,19,20)
InChIKeyPQXGZGDQTRZDCB-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.48
Rot. Bonds10

About N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide (PubChem CID 86940542) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide
PubChem CID86940542
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide
SMILESCCOCCOCc1cccc(CNC(=O)c2ccc(SC)o2)c1
InChIInChI=1S/C18H23NO4S/c1-3-21-9-10-22-13-15-6-4-5-14(11-15)12-19-18(20)16-7-8-17(23-16)24-2/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,19,20)
InChIKeyPQXGZGDQTRZDCB-UHFFFAOYSA-N
XLogP3.48
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 39590517
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 39586980
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 76868296
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-nitrobenzamide
CID 39587833
3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 119723077
3-(dimethylsulfamoyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-fluorobenzamide
CID 55796196
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 55690197
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide
CID 86963718
1-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110915556
5-(2,5-dimethylpyrrol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 60573945
4-(3-bromophenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide
CID 55690199

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide?
The IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide (CID 86940542) is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide.
What is the SMILES notation for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide?
The canonical SMILES for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide is CCOCCOCc1cccc(CNC(=O)c2ccc(SC)o2)c1.
What is the InChIKey of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide?
The InChIKey is PQXGZGDQTRZDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-3-21-9-10-22-13-15-6-4-5-14(11-15)12-19-18(20)16-7-8-17(23-16)24-2/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide?
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-5-methylsulfanylfuran-2-carboxamide is sourced from PubChem (CID 86940542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).