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

C12H17BrN2OS — CID 4120530

IUPACN-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide
SMILESCCCCCC(=O)NN=C(C)c1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-3-4-5-6-12(16)15-14-9(2)10-7-8-11(13)17-10/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyFDCAAZFVEWNNFS-UHFFFAOYSA-N
MW317.25 g/mol
LogP3.93
Rot. Bonds6

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

N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide (PubChem CID 4120530) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide
PubChem CID4120530
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide
SMILESCCCCCC(=O)NN=C(C)c1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-3-4-5-6-12(16)15-14-9(2)10-7-8-11(13)17-10/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyFDCAAZFVEWNNFS-UHFFFAOYSA-N
XLogP3.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(5-bromothiophen-2-yl)ethylideneamino]decanamide
CID 6299261
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide
CID 4604859
N-(1-thiophen-2-ylethylideneamino)octanamide
CID 2841814
N-(1-thiophen-2-ylethylideneamino)dodecanamide
CID 4295829
N-[(E)-1-thiophen-2-ylethylideneamino]nonanamide
CID 6307256
N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide
CID 4155317
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide
CID 6167295
1-(5-bromothiophen-2-yl)octan-1-one
CID 63492200
N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
CID 19685706
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6176429
N-[1-(5-bromothiophen-2-yl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1095079
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide (CID 4120530) is N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide is CCCCCC(=O)NN=C(C)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide?
The InChIKey is FDCAAZFVEWNNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-3-4-5-6-12(16)15-14-9(2)10-7-8-11(13)17-10/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide?
N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide has a molecular weight of 317.25 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide is sourced from PubChem (CID 4120530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).