5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide

C19H17FN2O3S — CID 171130863

IUPAC5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide
SMILESCc1cccc(OCc2ccc(C(=O)NN=Cc3ccc(F)s3)o2)c1C
InChIInChI=1S/C19H17FN2O3S/c1-12-4-3-5-16(13(12)2)24-11-14-6-8-17(25-14)19(23)22-21-10-15-7-9-18(20)26-15/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyCUDKMHFFHKTLNU-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.44
Rot. Bonds6

About 5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide

5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide (PubChem CID 171130863) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide
PubChem CID171130863
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide
SMILESCc1cccc(OCc2ccc(C(=O)NN=Cc3ccc(F)s3)o2)c1C
InChIInChI=1S/C19H17FN2O3S/c1-12-4-3-5-16(13(12)2)24-11-14-6-8-17(25-14)19(23)22-21-10-15-7-9-18(20)26-15/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyCUDKMHFFHKTLNU-UHFFFAOYSA-N
XLogP4.44
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.44
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

5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide
CID 119055789
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide
CID 119055652
5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 124842745
5-[(2,4-dimethylphenoxy)methyl]-N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 119055968
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 110211053
5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
CID 6874399
4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide
CID 124854267
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 126409092
5-[(2-bromophenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19448612
5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide
CID 9350236
[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62455058

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide (CID 171130863) is 5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide is Cc1cccc(OCc2ccc(C(=O)NN=Cc3ccc(F)s3)o2)c1C.
What is the InChIKey of 5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is CUDKMHFFHKTLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-12-4-3-5-16(13(12)2)24-11-14-6-8-17(25-14)19(23)22-21-10-15-7-9-18(20)26-15/h3-10H,11H2,1-2H3,(H,22,23).
What are the key properties of 5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide?
5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 171130863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).