N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide

C17H19N3O3S — CID 6340239

IUPACN-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide
SMILESCC/C(=N\NC(=O)Cc1cccs1)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H19N3O3S/c1-2-15(19-20-17(22)10-14-4-3-9-24-14)12-5-7-13(8-6-12)23-11-16(18)21/h3-9H,2,10-11H2,1H3,(H2,18,21)(H,20,22)/b19-15+
InChIKeyFIYWVMATTNGWKD-XDJHFCHBSA-N
MW345.42 g/mol
LogP2.09
Rot. Bonds8

About N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide

N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 6340239) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide
PubChem CID6340239
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide
SMILESCC/C(=N\NC(=O)Cc1cccs1)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H19N3O3S/c1-2-15(19-20-17(22)10-14-4-3-9-24-14)12-5-7-13(8-6-12)23-11-16(18)21/h3-9H,2,10-11H2,1H3,(H2,18,21)(H,20,22)/b19-15+
InChIKeyFIYWVMATTNGWKD-XDJHFCHBSA-N
XLogP2.09
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
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-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide
CID 135603281
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425405
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43711048
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 43175462
2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742
2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135560385
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
2-[4-[2-[[N-ethyl-N'-(thiophen-2-ylmethyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide;hydroiodide
CID 111257194
N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7462993
N-(1-naphthalen-2-ylethylideneamino)-2-thiophen-2-ylacetamide
CID 951064

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide (CID 6340239) is N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide is CC/C(=N\NC(=O)Cc1cccs1)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is FIYWVMATTNGWKD-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-2-15(19-20-17(22)10-14-4-3-9-24-14)12-5-7-13(8-6-12)23-11-16(18)21/h3-9H,2,10-11H2,1H3,(H2,18,21)(H,20,22)/b19-15+.
What are the key properties of N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide?
N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 345.42 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 6340239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).