5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide

C15H19F3N2O2S — CID 89331827

IUPAC5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide
SMILESC=C(/C=C(/c1ccc(C(=O)N(C)C)s1)N(C)CCO)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2S/c1-10(15(16,17)18)9-11(20(4)7-8-21)12-5-6-13(23-12)14(22)19(2)3/h5-6,9,21H,1,7-8H2,2-4H3/b11-9-
InChIKeySRSGZXXLWNOZSV-LUAWRHEFSA-N
MW348.39 g/mol
LogP2.83
Rot. Bonds6

About 5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide

5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide (PubChem CID 89331827) has the molecular formula C15H19F3N2O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is 5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide
PubChem CID89331827
Molecular FormulaC15H19F3N2O2S
Molecular Weight348.39 g/mol
Exact Mass348.11
IUPAC Name5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide
SMILESC=C(/C=C(/c1ccc(C(=O)N(C)C)s1)N(C)CCO)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2S/c1-10(15(16,17)18)9-11(20(4)7-8-21)12-5-6-13(23-12)14(22)19(2)3/h5-6,9,21H,1,7-8H2,2-4H3/b11-9-
InChIKeySRSGZXXLWNOZSV-LUAWRHEFSA-N
XLogP2.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide (CID 89331827) is 5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide is C=C(/C=C(/c1ccc(C(=O)N(C)C)s1)N(C)CCO)C(F)(F)F.
What is the InChIKey of 5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is SRSGZXXLWNOZSV-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H19F3N2O2S/c1-10(15(16,17)18)9-11(20(4)7-8-21)12-5-6-13(23-12)14(22)19(2)3/h5-6,9,21H,1,7-8H2,2-4H3/b11-9-.
What are the key properties of 5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide?
5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 348.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 89331827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).