(E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide

C9H11NO2S — CID 15141046

IUPAC(E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCON(C)C(=O)/C=C/c1cccs1
InChIInChI=1S/C9H11NO2S/c1-10(12-2)9(11)6-5-8-4-3-7-13-8/h3-7H,1-2H3/b6-5+
InChIKeyOJTXVQOTIHLBLK-AATRIKPKSA-N
MW197.26 g/mol
LogP1.78
Rot. Bonds3

About (E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide

(E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 15141046) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is (E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
PubChem CID15141046
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name(E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCON(C)C(=O)/C=C/c1cccs1
InChIInChI=1S/C9H11NO2S/c1-10(12-2)9(11)6-5-8-4-3-7-13-8/h3-7H,1-2H3/b6-5+
InChIKeyOJTXVQOTIHLBLK-AATRIKPKSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Methoxy-N-methyl-2-thiophenecarboxamide
CID 3613942
(E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide
CID 2313985
(E)-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 5898676
3-Methyl-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolan-4-one
CID 1550686
(2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide
CID 147870205
3-Ethyl-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 2189097
(2E)-N,N-di(butan-2-yl)-3-(thiophen-2-yl)prop-2-enamide
CID 5736861
(E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
CID 23111612
5-methyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,2-oxazol-3-one
CID 76334111
(2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide
CID 102358338
(z)-3-Methyl-5-(thiophen-2-ylmethylene)thiazolidine-2,4-dione
CID 6531825
(E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 60651841

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide (CID 15141046) is (E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide is CON(C)C(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is OJTXVQOTIHLBLK-AATRIKPKSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-10(12-2)9(11)6-5-8-4-3-7-13-8/h3-7H,1-2H3/b6-5+.
What are the key properties of (E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide?
(E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 197.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 15141046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).