N-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide

C15H15FN2O2S — CID 1485336

IUPACN-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cccs1
InChIInChI=1S/C15H15FN2O2S/c16-12-10-11(17-15(19)14-2-1-9-21-14)3-4-13(12)18-5-7-20-8-6-18/h1-4,9-10H,5-8H2,(H,17,19)
InChIKeyLUTFOWHXHOWGNJ-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.98
Rot. Bonds3

About N-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide

N-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 1485336) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID1485336
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cccs1
InChIInChI=1S/C15H15FN2O2S/c16-12-10-11(17-15(19)14-2-1-9-21-14)3-4-13(12)18-5-7-20-8-6-18/h1-4,9-10H,5-8H2,(H,17,19)
InChIKeyLUTFOWHXHOWGNJ-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 1485336) is N-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cccs1.
What is the InChIKey of N-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is LUTFOWHXHOWGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-10-11(17-15(19)14-2-1-9-21-14)3-4-13(12)18-5-7-20-8-6-18/h1-4,9-10H,5-8H2,(H,17,19).
What are the key properties of N-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
N-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1485336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).