N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide

C11H15ClN2OS — CID 4604859

IUPACN-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide
SMILESCCCCC(=O)NN=C(C)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c1-3-4-5-11(15)14-13-8(2)9-6-7-10(12)16-9/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyXGXVFTIHZFBLIJ-UHFFFAOYSA-N
MW258.77 g/mol
LogP3.43
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide

N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide (PubChem CID 4604859) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide
PubChem CID4604859
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide
SMILESCCCCC(=O)NN=C(C)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c1-3-4-5-11(15)14-13-8(2)9-6-7-10(12)16-9/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyXGXVFTIHZFBLIJ-UHFFFAOYSA-N
XLogP3.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 53.43
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

N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide
CID 4120530
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide
CID 6299261
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
CID 5354251
N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide
CID 4155317
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide
CID 6176137
2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 6385587
2-N,5-N-bis[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide
CID 44514810
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
2-(benzenesulfonamido)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 9236552
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883245

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide (CID 4604859) is N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide is CCCCC(=O)NN=C(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide?
The InChIKey is XGXVFTIHZFBLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-3-4-5-11(15)14-13-8(2)9-6-7-10(12)16-9/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide?
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide has a molecular weight of 258.77 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide is sourced from PubChem (CID 4604859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).