5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide

C19H18FNO2S2 — CID 126853656

IUPAC5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC(c1cccs1)C1CCOCC1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C19H18FNO2S2/c20-14-3-4-15-13(10-14)11-17(25-15)19(22)21-18(16-2-1-9-24-16)12-5-7-23-8-6-12/h1-4,9-12,18H,5-8H2,(H,21,22)
InChIKeyNAJOACDTTNLMHQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.00
Rot. Bonds4

About 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide

5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 126853656) has the molecular formula C19H18FNO2S2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID126853656
Molecular FormulaC19H18FNO2S2
Molecular Weight375.49 g/mol
Exact Mass375.08
IUPAC Name5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC(c1cccs1)C1CCOCC1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C19H18FNO2S2/c20-14-3-4-15-13(10-14)11-17(25-15)19(22)21-18(16-2-1-9-24-16)12-5-7-23-8-6-12/h1-4,9-12,18H,5-8H2,(H,21,22)
InChIKeyNAJOACDTTNLMHQ-UHFFFAOYSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide (CID 126853656) is 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide is O=C(NC(c1cccs1)C1CCOCC1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is NAJOACDTTNLMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S2/c20-14-3-4-15-13(10-14)11-17(25-15)19(22)21-18(16-2-1-9-24-16)12-5-7-23-8-6-12/h1-4,9-12,18H,5-8H2,(H,21,22).
What are the key properties of 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide?
5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 126853656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).