3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide

C17H16FN3O2S — CID 58022863

IUPAC3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
SMILES[C-]#[N+]c1c(N2CCOCC2)sc(C(=O)NC)c1-c1ccccc1F
InChIInChI=1S/C17H16FN3O2S/c1-19-14-13(11-5-3-4-6-12(11)18)15(16(22)20-2)24-17(14)21-7-9-23-10-8-21/h3-6H,7-10H2,2H3,(H,20,22)
InChIKeyHMGFMOGXGFIBJV-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.30
Rot. Bonds3

About 3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide

3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide (PubChem CID 58022863) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
PubChem CID58022863
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
SMILES[C-]#[N+]c1c(N2CCOCC2)sc(C(=O)NC)c1-c1ccccc1F
InChIInChI=1S/C17H16FN3O2S/c1-19-14-13(11-5-3-4-6-12(11)18)15(16(22)20-2)24-17(14)21-7-9-23-10-8-21/h3-6H,7-10H2,2H3,(H,20,22)
InChIKeyHMGFMOGXGFIBJV-UHFFFAOYSA-N
XLogP3.30
TPSA45.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-ethyl-3-[(4-fluorophenyl)-(4-morpholinyl)methyl]-2-thiophenyl]benzamide
CID 3542312
3-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-4H-thieno[3,2-c]isoquinoline-2-carboxamide
CID 86298606
3-[3-(4-Fluorophenyl)propyl]-5-morpholin-4-ylthiophene-2-carboxamide
CID 145978826
5-morpholin-4-yl-4-phenyl-N-(2-phenylethyl)thiophene-2-carboxamide
CID 6622014
N-[3-Cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-2-fluoro-benzamide
CID 1130935
N-[3-cyano-4-methyl-5-(morpholin-4-ylcarbonyl)(2-thienyl)]-2-phenylacetamide
CID 1130980
N-(4-fluorophenyl)-5-(morpholin-4-yl)-4-phenylthiophene-2-carboxamide
CID 7571808
N-(4-Methylphenyl)-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 8646887
5-Morpholin-4-yl-3-(3-phenylpropyl)thiophene-2-carboxamide
CID 145978322
N-[5-(3-fluorophenyl)-2-(methylcarbamoyl)thiophen-3-yl]morpholine-4-carboxamide
CID 178314997
4-Cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide
CID 134944189
N-benzyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 6624733

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide (CID 58022863) is 3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide is [C-]#[N+]c1c(N2CCOCC2)sc(C(=O)NC)c1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide?
The InChIKey is HMGFMOGXGFIBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-19-14-13(11-5-3-4-6-12(11)18)15(16(22)20-2)24-17(14)21-7-9-23-10-8-21/h3-6H,7-10H2,2H3,(H,20,22).
What are the key properties of 3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide?
3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-isocyano-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 58022863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).