N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide

C19H18N2O4S — CID 1225303

IUPACN-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(OCc2ccc(C=NNC(=O)c3sccc3C)o2)cc1
InChIInChI=1S/C19H18N2O4S/c1-13-9-10-26-18(13)19(22)21-20-11-16-7-8-17(25-16)12-24-15-5-3-14(23-2)4-6-15/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyIGBMIUDHJIZTMU-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.00
Rot. Bonds7

About N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide

N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide (PubChem CID 1225303) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide
PubChem CID1225303
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(OCc2ccc(C=NNC(=O)c3sccc3C)o2)cc1
InChIInChI=1S/C19H18N2O4S/c1-13-9-10-26-18(13)19(22)21-20-11-16-7-8-17(25-16)12-24-15-5-3-14(23-2)4-6-15/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyIGBMIUDHJIZTMU-UHFFFAOYSA-N
XLogP4.00
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 41177653
N-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027392
(E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 19544674
N-[(E)-[5-(diethylamino)furan-2-yl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 124551754
3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 841409
5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]-N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]furan-2-carboxamide
CID 124548349
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide
CID 5410848
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide
CID 1018786
2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide
CID 17047941
4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 7985051
ethyl 4-[5-[(E)-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 6875141

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide (CID 1225303) is N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide is COc1ccc(OCc2ccc(C=NNC(=O)c3sccc3C)o2)cc1.
What is the InChIKey of N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide?
The InChIKey is IGBMIUDHJIZTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-13-9-10-26-18(13)19(22)21-20-11-16-7-8-17(25-16)12-24-15-5-3-14(23-2)4-6-15/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide?
N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 1225303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).