N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide

C16H17ClN2OS — CID 19584989

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCCc1cccs1)N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2OS/c17-14-6-3-5-13(11-14)12-18-19-16(20)9-2-1-7-15-8-4-10-21-15/h3-6,8,10-12H,1-2,7,9H2,(H,19,20)/b18-12+
InChIKeyMAQFPCCBBQVGOV-LDADJPATSA-N
MW320.85 g/mol
LogP4.26
Rot. Bonds7

About N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide

N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide (PubChem CID 19584989) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide
PubChem CID19584989
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCCc1cccs1)N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2OS/c17-14-6-3-5-13(11-14)12-18-19-16(20)9-2-1-7-15-8-4-10-21-15/h3-6,8,10-12H,1-2,7,9H2,(H,19,20)/b18-12+
InChIKeyMAQFPCCBBQVGOV-LDADJPATSA-N
XLogP4.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.26
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

5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide
CID 19584864
N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
CID 45054960
N-[(3-chlorophenyl)methylideneamino]hexadecanamide
CID 75087758
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5425302
N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 5230931
5-thiophen-2-ylpentanehydrazide
CID 70194284
N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929758
N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 3639982

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide (CID 19584989) is N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide is O=C(CCCCc1cccs1)N/N=C/c1cccc(Cl)c1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide?
The InChIKey is MAQFPCCBBQVGOV-LDADJPATSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c17-14-6-3-5-13(11-14)12-18-19-16(20)9-2-1-7-15-8-4-10-21-15/h3-6,8,10-12H,1-2,7,9H2,(H,19,20)/b18-12+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide?
N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide has a molecular weight of 320.85 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 19584989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).