N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide

C16H18N2O3S — CID 5425405

IUPACN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(/C(C)=N\NC(=O)Cc2cccs2)cc1OC
InChIInChI=1S/C16H18N2O3S/c1-11(12-6-7-14(20-2)15(9-12)21-3)17-18-16(19)10-13-5-4-8-22-13/h4-9H,10H2,1-3H3,(H,18,19)/b17-11-
InChIKeyBETHWCMWILVYPQ-BOPFTXTBSA-N
MW318.40 g/mol
LogP2.85
Rot. Bonds6

About N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 5425405) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
PubChem CID5425405
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(/C(C)=N\NC(=O)Cc2cccs2)cc1OC
InChIInChI=1S/C16H18N2O3S/c1-11(12-6-7-14(20-2)15(9-12)21-3)17-18-16(19)10-13-5-4-8-22-13/h4-9H,10H2,1-3H3,(H,18,19)/b17-11-
InChIKeyBETHWCMWILVYPQ-BOPFTXTBSA-N
XLogP2.85
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-naphthalen-2-ylethylideneamino)-2-thiophen-2-ylacetamide
CID 951064
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402037
N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7462993
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425293
N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
CID 5393099
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7516727
N,N'-bis[1-(3,4-dimethoxyphenyl)ethylideneamino]octanediamide
CID 5058567
2-cyano-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 92664451
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 135680368
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
CID 4146056
N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126213621
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide (CID 5425405) is N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide is COc1ccc(/C(C)=N\NC(=O)Cc2cccs2)cc1OC.
What is the InChIKey of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is BETHWCMWILVYPQ-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11(12-6-7-14(20-2)15(9-12)21-3)17-18-16(19)10-13-5-4-8-22-13/h4-9H,10H2,1-3H3,(H,18,19)/b17-11-.
What are the key properties of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 318.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 5425405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).