3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide

C18H20N2O3S — CID 71977432

IUPAC3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide
SMILESCCOc1cc(C(=O)N(C)C)ccc1NC(=O)C=Cc1cccs1
InChIInChI=1S/C18H20N2O3S/c1-4-23-16-12-13(18(22)20(2)3)7-9-15(16)19-17(21)10-8-14-6-5-11-24-14/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyZOSQZGCJKGGTRG-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.50
Rot. Bonds6

About 3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide

3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide (PubChem CID 71977432) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide.

Molecular Properties

Compound Name3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide
PubChem CID71977432
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide
SMILESCCOc1cc(C(=O)N(C)C)ccc1NC(=O)C=Cc1cccs1
InChIInChI=1S/C18H20N2O3S/c1-4-23-16-12-13(18(22)20(2)3)7-9-15(16)19-17(21)10-8-14-6-5-11-24-14/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyZOSQZGCJKGGTRG-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(2-ethoxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 1226916
(E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 61015357
4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9439958
(E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122304392
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
(E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6215014
methyl 4-chloro-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 8909985
(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 887907
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810921
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide?
The IUPAC name of 3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide (CID 71977432) is 3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide.
What is the SMILES notation for 3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide?
The canonical SMILES for 3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide is CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C=Cc1cccs1.
What is the InChIKey of 3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide?
The InChIKey is ZOSQZGCJKGGTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-4-23-16-12-13(18(22)20(2)3)7-9-15(16)19-17(21)10-8-14-6-5-11-24-14/h5-12H,4H2,1-3H3,(H,19,21).
What are the key properties of 3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide?
3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide has a molecular weight of 344.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide is sourced from PubChem (CID 71977432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).