N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide

C13H17BrN2OS — CID 6386438

IUPACN-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide
SMILESC/C(=N/NC(=O)C1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C13H17BrN2OS/c1-9(11-7-8-12(14)18-11)15-16-13(17)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,16,17)/b15-9-
InChIKeyRTYQIFABYZMIBT-DHDCSXOGSA-N
MW329.26 g/mol
LogP3.93
Rot. Bonds3

About N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide

N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide (PubChem CID 6386438) has the molecular formula C13H17BrN2OS and a molecular weight of 329.26 g/mol. Its IUPAC name is N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide
PubChem CID6386438
Molecular FormulaC13H17BrN2OS
Molecular Weight329.26 g/mol
Exact Mass328.02
IUPAC NameN-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide
SMILESC/C(=N/NC(=O)C1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C13H17BrN2OS/c1-9(11-7-8-12(14)18-11)15-16-13(17)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,16,17)/b15-9-
InChIKeyRTYQIFABYZMIBT-DHDCSXOGSA-N
XLogP3.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8826199
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide
CID 5455250
(5-bromothiophen-2-yl)-cyclooctylmethanone
CID 65018784
N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropanecarboxamide
CID 6340204
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide
CID 6306205
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6299285
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxybenzamide
CID 5409813
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 19685369
N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide
CID 4120530
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 5161964
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide (CID 6386438) is N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide is C/C(=N/NC(=O)C1CCCCC1)c1ccc(Br)s1.
What is the InChIKey of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide?
The InChIKey is RTYQIFABYZMIBT-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H17BrN2OS/c1-9(11-7-8-12(14)18-11)15-16-13(17)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,16,17)/b15-9-.
What are the key properties of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide?
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide has a molecular weight of 329.26 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 6386438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).