N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane

C19H26N2O4S — CID 90757175

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane
SMILESCC.CON=C(C(=O)NCCc1ccc(OC)c(OC)c1)c1cccs1
InChIInChI=1S/C17H20N2O4S.C2H6/c1-21-13-7-6-12(11-14(13)22-2)8-9-18-17(20)16(19-23-3)15-5-4-10-24-15;1-2/h4-7,10-11H,8-9H2,1-3H3,(H,18,20);1-2H3
InChIKeyXEHWFLUNZNLVLJ-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.50
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane (PubChem CID 90757175) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane
PubChem CID90757175
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane
SMILESCC.CON=C(C(=O)NCCc1ccc(OC)c(OC)c1)c1cccs1
InChIInChI=1S/C17H20N2O4S.C2H6/c1-21-13-7-6-12(11-14(13)22-2)8-9-18-17(20)16(19-23-3)15-5-4-10-24-15;1-2/h4-7,10-11H,8-9H2,1-3H3,(H,18,20);1-2H3
InChIKeyXEHWFLUNZNLVLJ-UHFFFAOYSA-N
XLogP3.50
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-(3,4-dimethoxyphenyl)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9404427
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 15906537
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
N-[3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 111213869
2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide
CID 73193276
2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 72650250
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxyiminopropanamide
CID 71964880
2-methoxyimino-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 72650224
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 55411817
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane (CID 90757175) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane is CC.CON=C(C(=O)NCCc1ccc(OC)c(OC)c1)c1cccs1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane?
The InChIKey is XEHWFLUNZNLVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S.C2H6/c1-21-13-7-6-12(11-14(13)22-2)8-9-18-17(20)16(19-23-3)15-5-4-10-24-15;1-2/h4-7,10-11H,8-9H2,1-3H3,(H,18,20);1-2H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane has a molecular weight of 378.49 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane is sourced from PubChem (CID 90757175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).