6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide

C24H25FN2O4S — CID 166595641

IUPAC6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
SMILESCc1cccc(C2CCCC2)c1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1
InChIInChI=1S/C24H25FN2O4S/c1-15-6-4-9-18(16-7-2-3-8-16)23(15)32(29,30)26-24(28)22-14-19-20(25)12-17(13-21(19)31-22)27-10-5-11-27/h4,6,9,12-14,16H,2-3,5,7-8,10-11H2,1H3,(H,26,28)
InChIKeyBFWBUBUFCZIGLT-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.87
Rot. Bonds5

About 6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide

6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide (PubChem CID 166595641) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
PubChem CID166595641
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
SMILESCc1cccc(C2CCCC2)c1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1
InChIInChI=1S/C24H25FN2O4S/c1-15-6-4-9-18(16-7-2-3-8-16)23(15)32(29,30)26-24(28)22-14-19-20(25)12-17(13-21(19)31-22)27-10-5-11-27/h4,6,9,12-14,16H,2-3,5,7-8,10-11H2,1H3,(H,26,28)
InChIKeyBFWBUBUFCZIGLT-UHFFFAOYSA-N
XLogP4.87
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide (CID 166595641) is 6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide is Cc1cccc(C2CCCC2)c1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1.
What is the InChIKey of 6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide?
The InChIKey is BFWBUBUFCZIGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-15-6-4-9-18(16-7-2-3-8-16)23(15)32(29,30)26-24(28)22-14-19-20(25)12-17(13-21(19)31-22)27-10-5-11-27/h4,6,9,12-14,16H,2-3,5,7-8,10-11H2,1H3,(H,26,28).
What are the key properties of 6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide?
6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-N-(2-cyclopentyl-6-methylphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166595641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).