N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide

C20H18N2O3S — CID 6879784

IUPACN-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccccc1
InChIInChI=1S/C20H18N2O3S/c1-24-18-12-16(13-21-22-20(23)19-8-5-11-26-19)9-10-17(18)25-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,22,23)/b21-13+
InChIKeyIXUOKBOLUSFYPW-FYJGNVAPSA-N
MW366.44 g/mol
LogP4.10
Rot. Bonds7

About N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide

N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 6879784) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID6879784
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccccc1
InChIInChI=1S/C20H18N2O3S/c1-24-18-12-16(13-21-22-20(23)19-8-5-11-26-19)9-10-17(18)25-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,22,23)/b21-13+
InChIKeyIXUOKBOLUSFYPW-FYJGNVAPSA-N
XLogP4.10
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.10
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

LASSBio-294
CID 9579598
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
CID 6861722
N'-(3-methoxybenzylidene)-2-thiophenecarbohydrazide
CID 6880401
N'-(4-hydroxy-3-methoxybenzylidene)-2-thiophenecarbohydrazide
CID 135641355
N'-[(E)-(5-methylthiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 6883074
N'-[(E)-(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 6883293
4-[(E)-(2-carbamoylhydrazinylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate
CID 6901641
N-[(E)-thiophen-3-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6908726
N'-[(Z)-(2-methoxynaphthalen-1-yl)methylidene]-5-methylthiophene-2-carbohydrazide
CID 25237617
N'-(1,3-benzodioxol-5-ylmethylene)-3-methyl-2-thiophenecarbohydrazide
CID 6873436
3,4,5-triethoxy-N'-(3-thienylmethylene)benzohydrazide
CID 6873899
N'-[4-(benzyloxy)benzylidene]-2-thiophenecarbohydrazide
CID 6878737

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide (CID 6879784) is N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide is COc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is IXUOKBOLUSFYPW-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-24-18-12-16(13-21-22-20(23)19-8-5-11-26-19)9-10-17(18)25-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6879784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).