3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide

C10H13NO2S — CID 178070903

IUPAC3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide
SMILESCCO/C=C/c1ccsc1C(=O)NC
InChIInChI=1S/C10H13NO2S/c1-3-13-6-4-8-5-7-14-9(8)10(12)11-2/h4-7H,3H2,1-2H3,(H,11,12)/b6-4+
InChIKeyOYRWKKYTVPVMIY-GQCTYLIASA-N
MW211.29 g/mol
LogP2.11
Rot. Bonds4

About 3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide

3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide (PubChem CID 178070903) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide
PubChem CID178070903
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide
SMILESCCO/C=C/c1ccsc1C(=O)NC
InChIInChI=1S/C10H13NO2S/c1-3-13-6-4-8-5-7-14-9(8)10(12)11-2/h4-7H,3H2,1-2H3,(H,11,12)/b6-4+
InChIKeyOYRWKKYTVPVMIY-GQCTYLIASA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
3-[2-(propylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 77007293
methyl 2-[(E)-2-ethoxyethenyl]benzoate
CID 146567603
(E)-3-[2-(dimethylaminocarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 83023501
methyl 3-hex-1-enylthiophene-2-carboxylate
CID 141160515
3-[2-(2-methylpentan-3-ylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 77018320
3-[2-(hexylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 77022102
methyl 3-(4-methoxy-4-oxobut-1-enyl)thiophene-2-carboxylate
CID 170500725
(E)-3-[2-[(2-methoxy-2-methylpropyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid
CID 104765280
(E)-3-[2-(2-methylsulfanylpropylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 113466879
3-(methylcarbamoyl)thiophene-2-carboxylic acid
CID 129267233
3-cyclopropyl-N-methylthiophene-2-carboxamide
CID 130634247

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide (CID 178070903) is 3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide is CCO/C=C/c1ccsc1C(=O)NC.
What is the InChIKey of 3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide?
The InChIKey is OYRWKKYTVPVMIY-GQCTYLIASA-N. The full InChI is InChI=1S/C10H13NO2S/c1-3-13-6-4-8-5-7-14-9(8)10(12)11-2/h4-7H,3H2,1-2H3,(H,11,12)/b6-4+.
What are the key properties of 3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide?
3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 178070903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).