N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide

C17H15FN2OS — CID 71828780

IUPACN-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCCc2c1[nH]c1ccc(F)cc21)c1cccs1
InChIInChI=1S/C17H15FN2OS/c18-10-6-7-13-12(9-10)11-3-1-4-14(16(11)19-13)20-17(21)15-5-2-8-22-15/h2,5-9,14,19H,1,3-4H2,(H,20,21)
InChIKeyGDOQWYNAIITPNE-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.18
Rot. Bonds2

About N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide

N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide (PubChem CID 71828780) has the molecular formula C17H15FN2OS and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide
PubChem CID71828780
Molecular FormulaC17H15FN2OS
Molecular Weight314.38 g/mol
Exact Mass314.09
IUPAC NameN-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCCc2c1[nH]c1ccc(F)cc21)c1cccs1
InChIInChI=1S/C17H15FN2OS/c18-10-6-7-13-12(9-10)11-3-1-4-14(16(11)19-13)20-17(21)15-5-2-8-22-15/h2,5-9,14,19H,1,3-4H2,(H,20,21)
InChIKeyGDOQWYNAIITPNE-UHFFFAOYSA-N
XLogP4.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide (CID 71828780) is N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide is O=C(NC1CCCc2c1[nH]c1ccc(F)cc21)c1cccs1.
What is the InChIKey of N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide?
The InChIKey is GDOQWYNAIITPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c18-10-6-7-13-12(9-10)11-3-1-4-14(16(11)19-13)20-17(21)15-5-2-8-22-15/h2,5-9,14,19H,1,3-4H2,(H,20,21).
What are the key properties of N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide?
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 71828780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).