N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide

C17H13BrN2OS — CID 6163037

IUPACN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N/N=C\c1ccc(Br)s1
InChIInChI=1S/C17H13BrN2OS/c18-16-9-8-14(22-16)11-19-20-17(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,20,21)/b19-11-
InChIKeyGFLMHMKTNOJERZ-ODLFYWEKSA-N
MW373.28 g/mol
LogP4.36
Rot. Bonds4

About N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide

N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 6163037) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID6163037
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N/N=C\c1ccc(Br)s1
InChIInChI=1S/C17H13BrN2OS/c18-16-9-8-14(22-16)11-19-20-17(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,20,21)/b19-11-
InChIKeyGFLMHMKTNOJERZ-ODLFYWEKSA-N
XLogP4.36
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.36
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'}

Analyze N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 5185325
N,N'-bis[(5-bromothiophen-2-yl)methylideneamino]hexanediamide
CID 5114030
N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5340905
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5394131
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide
CID 5375065
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8884016
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide
CID 6167295
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
CID 5432164
N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3588313
N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
CID 715930
methyl 4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate
CID 5393689
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5074421

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide (CID 6163037) is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(Br)s1.
What is the InChIKey of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is GFLMHMKTNOJERZ-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c18-16-9-8-14(22-16)11-19-20-17(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide?
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 373.28 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 6163037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).