N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide

C19H16N2O2S — CID 6878737

IUPACN-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C19H16N2O2S/c22-19(18-7-4-12-24-18)21-20-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-13H,14H2,(H,21,22)/b20-13+
InChIKeyFFVGRIFNASHCKX-DEDYPNTBSA-N
MW336.42 g/mol
LogP4.09
Rot. Bonds6

About N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide

N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 6878737) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID6878737
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C19H16N2O2S/c22-19(18-7-4-12-24-18)21-20-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-13H,14H2,(H,21,22)/b20-13+
InChIKeyFFVGRIFNASHCKX-DEDYPNTBSA-N
XLogP4.09
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide (CID 6878737) is N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide is O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccs1.
What is the InChIKey of N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is FFVGRIFNASHCKX-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-19(18-7-4-12-24-18)21-20-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-13H,14H2,(H,21,22)/b20-13+.
What are the key properties of N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6878737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).