6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide

C24H20N2O3S — CID 167018347

IUPAC6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)c1ccccc1-c1ccccc1)c1cc2ccc(N3CCC3)cc2o1
InChIInChI=1S/C24H20N2O3S/c27-24(22-15-18-11-12-19(16-21(18)29-22)26-13-6-14-26)25-30(28)23-10-5-4-9-20(23)17-7-2-1-3-8-17/h1-5,7-12,15-16H,6,13-14H2,(H,25,27)
InChIKeyAUXRTXFAHINLIG-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.76
Rot. Bonds5

About 6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide

6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide (PubChem CID 167018347) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
PubChem CID167018347
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)c1ccccc1-c1ccccc1)c1cc2ccc(N3CCC3)cc2o1
InChIInChI=1S/C24H20N2O3S/c27-24(22-15-18-11-12-19(16-21(18)29-22)26-13-6-14-26)25-30(28)23-10-5-4-9-20(23)17-7-2-1-3-8-17/h1-5,7-12,15-16H,6,13-14H2,(H,25,27)
InChIKeyAUXRTXFAHINLIG-UHFFFAOYSA-N
XLogP4.76
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155244834
6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide
CID 155244705
6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide
CID 167018613
6-cyclopropyl-N-(2-phenylphenyl)sulfinyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 167007231
3-(1-benzofuran-2-carbonyl)-7-pyrrolidin-1-ylchromen-2-one
CID 21217315
6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155244808
6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 167018574
2-phenyl-5-pyrrolidin-1-ylphenol
CID 91608204
6-(azetidin-1-yl)-4-fluoro-N-(2-hydroxy-6-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 167018608
1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone
CID 168514058
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887
6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155714245

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide (CID 167018347) is 6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide is O=C(NS(=O)c1ccccc1-c1ccccc1)c1cc2ccc(N3CCC3)cc2o1.
What is the InChIKey of 6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The InChIKey is AUXRTXFAHINLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c27-24(22-15-18-11-12-19(16-21(18)29-22)26-13-6-14-26)25-30(28)23-10-5-4-9-20(23)17-7-2-1-3-8-17/h1-5,7-12,15-16H,6,13-14H2,(H,25,27).
What are the key properties of 6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 167018347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).