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

C16H25BrN2OS — CID 6299261

IUPACN-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide
SMILESCCCCCCCCCC(=O)N/N=C(\C)c1ccc(Br)s1
InChIInChI=1S/C16H25BrN2OS/c1-3-4-5-6-7-8-9-10-16(20)19-18-13(2)14-11-12-15(17)21-14/h11-12H,3-10H2,1-2H3,(H,19,20)/b18-13+
InChIKeyMBDGABRJMMFIRH-QGOAFFKASA-N
MW373.36 g/mol
LogP5.49
Rot. Bonds10

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

N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide (PubChem CID 6299261) has the molecular formula C16H25BrN2OS and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide.

Molecular Properties

Compound NameN-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide
PubChem CID6299261
Molecular FormulaC16H25BrN2OS
Molecular Weight373.36 g/mol
Exact Mass372.09
IUPAC NameN-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide
SMILESCCCCCCCCCC(=O)N/N=C(\C)c1ccc(Br)s1
InChIInChI=1S/C16H25BrN2OS/c1-3-4-5-6-7-8-9-10-16(20)19-18-13(2)14-11-12-15(17)21-14/h11-12H,3-10H2,1-2H3,(H,19,20)/b18-13+
InChIKeyMBDGABRJMMFIRH-QGOAFFKASA-N
XLogP5.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.36
LogP ≤ 55.49
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-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide
CID 4120530
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-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide
CID 4604859
1-(5-bromothiophen-2-yl)octan-1-one
CID 63492200
N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
CID 19685706
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide
CID 6167295
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide?
The IUPAC name of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide (CID 6299261) is N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide.
What is the SMILES notation for N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide?
The canonical SMILES for N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide is CCCCCCCCCC(=O)N/N=C(\C)c1ccc(Br)s1.
What is the InChIKey of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide?
The InChIKey is MBDGABRJMMFIRH-QGOAFFKASA-N. The full InChI is InChI=1S/C16H25BrN2OS/c1-3-4-5-6-7-8-9-10-16(20)19-18-13(2)14-11-12-15(17)21-14/h11-12H,3-10H2,1-2H3,(H,19,20)/b18-13+.
What are the key properties of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide?
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide has a molecular weight of 373.36 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide is sourced from PubChem (CID 6299261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).