6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide

C20H15FN2O4S2 — CID 166595594

IUPAC6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)(=O)c1csc2ccccc12)c1cc2c(F)cc(N3CCC3)cc2o1
InChIInChI=1S/C20H15FN2O4S2/c21-15-8-12(23-6-3-7-23)9-16-14(15)10-17(27-16)20(24)22-29(25,26)19-11-28-18-5-2-1-4-13(18)19/h1-2,4-5,8-11H,3,6-7H2,(H,22,24)
InChIKeyQHUORVJXTXLAGN-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.12
Rot. Bonds4

About 6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide

6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide (PubChem CID 166595594) has the molecular formula C20H15FN2O4S2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide
PubChem CID166595594
Molecular FormulaC20H15FN2O4S2
Molecular Weight430.48 g/mol
Exact Mass430.05
IUPAC Name6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)(=O)c1csc2ccccc12)c1cc2c(F)cc(N3CCC3)cc2o1
InChIInChI=1S/C20H15FN2O4S2/c21-15-8-12(23-6-3-7-23)9-16-14(15)10-17(27-16)20(24)22-29(25,26)19-11-28-18-5-2-1-4-13(18)19/h1-2,4-5,8-11H,3,6-7H2,(H,22,24)
InChIKeyQHUORVJXTXLAGN-UHFFFAOYSA-N
XLogP4.12
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide (CID 166595594) is 6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide is O=C(NS(=O)(=O)c1csc2ccccc12)c1cc2c(F)cc(N3CCC3)cc2o1.
What is the InChIKey of 6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide?
The InChIKey is QHUORVJXTXLAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4S2/c21-15-8-12(23-6-3-7-23)9-16-14(15)10-17(27-16)20(24)22-29(25,26)19-11-28-18-5-2-1-4-13(18)19/h1-2,4-5,8-11H,3,6-7H2,(H,22,24).
What are the key properties of 6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide?
6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-N-(1-benzothiophen-3-ylsulfonyl)-4-fluoro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166595594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).