N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide

C14H13N3O4S — CID 5132547

IUPACN-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(C=NNC(=O)Cc2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O4S/c1-21-13-5-4-10(7-12(13)17(19)20)9-15-16-14(18)8-11-3-2-6-22-11/h2-7,9H,8H2,1H3,(H,16,18)
InChIKeyLMFGKYRIAHSOFL-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.36
Rot. Bonds6

About N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 5132547) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID5132547
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC NameN-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(C=NNC(=O)Cc2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O4S/c1-21-13-5-4-10(7-12(13)17(19)20)9-15-16-14(18)8-11-3-2-6-22-11/h2-7,9H,8H2,1H3,(H,16,18)
InChIKeyLMFGKYRIAHSOFL-UHFFFAOYSA-N
XLogP2.36
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-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-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135905133
N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126213621
N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929758
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5425302
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
CID 94833655
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126209978
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126204429
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518228
N-[(2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 951103

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide (CID 5132547) is N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide is COc1ccc(C=NNC(=O)Cc2cccs2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is LMFGKYRIAHSOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-21-13-5-4-10(7-12(13)17(19)20)9-15-16-14(18)8-11-3-2-6-22-11/h2-7,9H,8H2,1H3,(H,16,18).
What are the key properties of N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 319.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 5132547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).