4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide

C22H19N3O3S — CID 135414083

IUPAC4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide
SMILESCOc1cscc1C(=O)NN=Cc1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C22H19N3O3S/c1-27-21-14-29-13-19(21)22(26)25-24-11-16-10-23-20-9-17(7-8-18(16)20)28-12-15-5-3-2-4-6-15/h2-11,13-14,23H,12H2,1H3,(H,25,26)
InChIKeyMVDIRECRRJHYEO-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.58
Rot. Bonds7

About 4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide

4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide (PubChem CID 135414083) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide
PubChem CID135414083
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide
SMILESCOc1cscc1C(=O)NN=Cc1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C22H19N3O3S/c1-27-21-14-29-13-19(21)22(26)25-24-11-16-10-23-20-9-17(7-8-18(16)20)28-12-15-5-3-2-4-6-15/h2-11,13-14,23H,12H2,1H3,(H,25,26)
InChIKeyMVDIRECRRJHYEO-UHFFFAOYSA-N
XLogP4.58
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
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

3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135804216
3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 135804227
2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 136705009
N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 136765213
4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069607
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135715615
3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069666
3-iodo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069759
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 136865247
2,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4562741
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide?
The IUPAC name of 4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide (CID 135414083) is 4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide?
The canonical SMILES for 4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide is COc1cscc1C(=O)NN=Cc1c[nH]c2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide?
The InChIKey is MVDIRECRRJHYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-27-21-14-29-13-19(21)22(26)25-24-11-16-10-23-20-9-17(7-8-18(16)20)28-12-15-5-3-2-4-6-15/h2-11,13-14,23H,12H2,1H3,(H,25,26).
What are the key properties of 4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide?
4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide is sourced from PubChem (CID 135414083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).