N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide

C18H19BrN2O2S — CID 5455250

IUPACN-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide
SMILESC/C(=N\NC(=O)c1ccc(OC2CCCC2)cc1)c1ccc(Br)s1
InChIInChI=1S/C18H19BrN2O2S/c1-12(16-10-11-17(19)24-16)20-21-18(22)13-6-8-15(9-7-13)23-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,21,22)/b20-12+
InChIKeySDTTVZAIPJVQKL-UDWIEESQSA-N
MW407.33 g/mol
LogP4.99
Rot. Bonds5

About N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide

N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide (PubChem CID 5455250) has the molecular formula C18H19BrN2O2S and a molecular weight of 407.33 g/mol. Its IUPAC name is N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide
PubChem CID5455250
Molecular FormulaC18H19BrN2O2S
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC NameN-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide
SMILESC/C(=N\NC(=O)c1ccc(OC2CCCC2)cc1)c1ccc(Br)s1
InChIInChI=1S/C18H19BrN2O2S/c1-12(16-10-11-17(19)24-16)20-21-18(22)13-6-8-15(9-7-13)23-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,21,22)/b20-12+
InChIKeySDTTVZAIPJVQKL-UDWIEESQSA-N
XLogP4.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 54.99
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)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide?
The IUPAC name of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide (CID 5455250) is N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide.
What is the SMILES notation for N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide?
The canonical SMILES for N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide is C/C(=N\NC(=O)c1ccc(OC2CCCC2)cc1)c1ccc(Br)s1.
What is the InChIKey of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide?
The InChIKey is SDTTVZAIPJVQKL-UDWIEESQSA-N. The full InChI is InChI=1S/C18H19BrN2O2S/c1-12(16-10-11-17(19)24-16)20-21-18(22)13-6-8-15(9-7-13)23-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,21,22)/b20-12+.
What are the key properties of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide?
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide has a molecular weight of 407.33 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide is sourced from PubChem (CID 5455250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).