5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide

C16H19NO3S — CID 19446639

IUPAC5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
SMILESCCc1ccc(OCc2ccc(C(=O)NCCS)o2)cc1
InChIInChI=1S/C16H19NO3S/c1-2-12-3-5-13(6-4-12)19-11-14-7-8-15(20-14)16(18)17-9-10-21/h3-8,21H,2,9-11H2,1H3,(H,17,18)
InChIKeyOSNCBOXSDDDRNZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.08
Rot. Bonds7

About 5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide

5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide (PubChem CID 19446639) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
PubChem CID19446639
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
SMILESCCc1ccc(OCc2ccc(C(=O)NCCS)o2)cc1
InChIInChI=1S/C16H19NO3S/c1-2-12-3-5-13(6-4-12)19-11-14-7-8-15(20-14)16(18)17-9-10-21/h3-8,21H,2,9-11H2,1H3,(H,17,18)
InChIKeyOSNCBOXSDDDRNZ-UHFFFAOYSA-N
XLogP3.08
TPSA51.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[(3,4-dimethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19450857
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19455044
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
5-[(4-chlorophenoxy)methyl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 19415421
3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 126200596
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19571740
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956
dimethyl 5-[[5-[(4-ethylphenoxy)methyl]furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19415870
N-[3-(diethylamino)propyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446041

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide (CID 19446639) is 5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide is CCc1ccc(OCc2ccc(C(=O)NCCS)o2)cc1.
What is the InChIKey of 5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide?
The InChIKey is OSNCBOXSDDDRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-12-3-5-13(6-4-12)19-11-14-7-8-15(20-14)16(18)17-9-10-21/h3-8,21H,2,9-11H2,1H3,(H,17,18).
What are the key properties of 5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide?
5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide is sourced from PubChem (CID 19446639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).