4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide

C24H20ClN3O5S — CID 59560085

IUPAC4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide
SMILESCc1cc2c(Oc3ccc(S(=O)(=O)N4CCC4)cc3)cc(C(=O)Nc3ccc(Cl)cn3)cc2o1
InChIInChI=1S/C24H20ClN3O5S/c1-15-11-20-21(32-15)12-16(24(29)27-23-8-3-17(25)14-26-23)13-22(20)33-18-4-6-19(7-5-18)34(30,31)28-9-2-10-28/h3-8,11-14H,2,9-10H2,1H3,(H,26,27,29)
InChIKeyMXZIPTLXIWVLOW-UHFFFAOYSA-N
MW497.96 g/mol
LogP5.23
Rot. Bonds6

About 4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide

4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide (PubChem CID 59560085) has the molecular formula C24H20ClN3O5S and a molecular weight of 497.96 g/mol. Its IUPAC name is 4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide
PubChem CID59560085
Molecular FormulaC24H20ClN3O5S
Molecular Weight497.96 g/mol
Exact Mass497.08
IUPAC Name4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide
SMILESCc1cc2c(Oc3ccc(S(=O)(=O)N4CCC4)cc3)cc(C(=O)Nc3ccc(Cl)cn3)cc2o1
InChIInChI=1S/C24H20ClN3O5S/c1-15-11-20-21(32-15)12-16(24(29)27-23-8-3-17(25)14-26-23)13-22(20)33-18-4-6-19(7-5-18)34(30,31)28-9-2-10-28/h3-8,11-14H,2,9-10H2,1H3,(H,26,27,29)
InChIKeyMXZIPTLXIWVLOW-UHFFFAOYSA-N
XLogP5.23
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.96
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide with MolForge

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Related Compounds

2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 90665737
2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide
CID 157263368
N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
CID 58146262
N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
CID 162197358
2-ethyl-N-(5-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 59559979
N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1217132
N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1102150
N-(5-chloro-2-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51188709
1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-[6-(1-hydroxyethyl)-2-pyridinyl]-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
CID 58146220
2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 7223581

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide?
The IUPAC name of 4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide (CID 59560085) is 4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide.
What is the SMILES notation for 4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide?
The canonical SMILES for 4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide is Cc1cc2c(Oc3ccc(S(=O)(=O)N4CCC4)cc3)cc(C(=O)Nc3ccc(Cl)cn3)cc2o1.
What is the InChIKey of 4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide?
The InChIKey is MXZIPTLXIWVLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O5S/c1-15-11-20-21(32-15)12-16(24(29)27-23-8-3-17(25)14-26-23)13-22(20)33-18-4-6-19(7-5-18)34(30,31)28-9-2-10-28/h3-8,11-14H,2,9-10H2,1H3,(H,26,27,29).
What are the key properties of 4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide?
4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide has a molecular weight of 497.96 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azetidin-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-pyridinyl)-2-methyl-1-benzofuran-6-carboxamide is sourced from PubChem (CID 59560085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).