4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide

C20H24N2O2S — CID 6536354

IUPAC4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide
SMILESCCC/C(=N/NC(=O)c1ccc(OC2CCCC2)cc1)c1cccs1
InChIInChI=1S/C20H24N2O2S/c1-2-6-18(19-9-5-14-25-19)21-22-20(23)15-10-12-17(13-11-15)24-16-7-3-4-8-16/h5,9-14,16H,2-4,6-8H2,1H3,(H,22,23)/b21-18-
InChIKeyJROYKEIDAMWWMH-UZYVYHOESA-N
MW356.49 g/mol
LogP5.00
Rot. Bonds7

About 4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide

4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide (PubChem CID 6536354) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide
PubChem CID6536354
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide
SMILESCCC/C(=N/NC(=O)c1ccc(OC2CCCC2)cc1)c1cccs1
InChIInChI=1S/C20H24N2O2S/c1-2-6-18(19-9-5-14-25-19)21-22-20(23)15-10-12-17(13-11-15)24-16-7-3-4-8-16/h5,9-14,16H,2-4,6-8H2,1H3,(H,22,23)/b21-18-
InChIKeyJROYKEIDAMWWMH-UZYVYHOESA-N
XLogP5.00
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 55.00
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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Related Compounds

N-[(E)-1-thiophen-2-ylbutylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6072763
4-cyclopentyloxy-N-(1-phenylethylideneamino)benzamide
CID 842328
4-cyclopentyloxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzamide
CID 6002881
4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide
CID 9070522
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide
CID 5455250
2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide
CID 6517419
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide
CID 6517677
4-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid
CID 3267397
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045
4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide?
The IUPAC name of 4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide (CID 6536354) is 4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide?
The canonical SMILES for 4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide is CCC/C(=N/NC(=O)c1ccc(OC2CCCC2)cc1)c1cccs1.
What is the InChIKey of 4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide?
The InChIKey is JROYKEIDAMWWMH-UZYVYHOESA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-2-6-18(19-9-5-14-25-19)21-22-20(23)15-10-12-17(13-11-15)24-16-7-3-4-8-16/h5,9-14,16H,2-4,6-8H2,1H3,(H,22,23)/b21-18-.
What are the key properties of 4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide?
4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide has a molecular weight of 356.49 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide is sourced from PubChem (CID 6536354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).