(2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide

C11H12FNO2S — CID 102358338

IUPAC(2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide
SMILESCON(C)C(=O)/C(F)=C/C=C/c1cccs1
InChIInChI=1S/C11H12FNO2S/c1-13(15-2)11(14)10(12)7-3-5-9-6-4-8-16-9/h3-8H,1-2H3/b5-3+,10-7-
InChIKeyJEAFAJUOXJWTIJ-JEFLAVHQSA-N
MW241.29 g/mol
LogP2.63
Rot. Bonds4

About (2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide

(2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide (PubChem CID 102358338) has the molecular formula C11H12FNO2S and a molecular weight of 241.29 g/mol. Its IUPAC name is (2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide
PubChem CID102358338
Molecular FormulaC11H12FNO2S
Molecular Weight241.29 g/mol
Exact Mass241.06
IUPAC Name(2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide
SMILESCON(C)C(=O)/C(F)=C/C=C/c1cccs1
InChIInChI=1S/C11H12FNO2S/c1-13(15-2)11(14)10(12)7-3-5-9-6-4-8-16-9/h3-8H,1-2H3/b5-3+,10-7-
InChIKeyJEAFAJUOXJWTIJ-JEFLAVHQSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.63
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide
CID 2313985
(3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide
CID 154713748
N-methoxy-N-methyl-3-(thiophen-2-yl)acrylamide
CID 15141046
(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
(E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 60651841
(Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 138963230
(Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
CID 146170007
(E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 42646126
(Z)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 42646127
(E)-N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 78866369
(E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
CID 81343086

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide?
The IUPAC name of (2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide (CID 102358338) is (2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide is CON(C)C(=O)/C(F)=C/C=C/c1cccs1.
What is the InChIKey of (2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide?
The InChIKey is JEAFAJUOXJWTIJ-JEFLAVHQSA-N. The full InChI is InChI=1S/C11H12FNO2S/c1-13(15-2)11(14)10(12)7-3-5-9-6-4-8-16-9/h3-8H,1-2H3/b5-3+,10-7-.
What are the key properties of (2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide?
(2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide has a molecular weight of 241.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide is sourced from PubChem (CID 102358338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).