6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide

C23H24FN3O5S — CID 167018574

IUPAC6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(N2CCOCC2)cc1S(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1
InChIInChI=1S/C23H24FN3O5S/c1-30-19-4-3-15(27-7-9-31-10-8-27)13-22(19)33(29)25-23(28)21-14-17-18(24)11-16(12-20(17)32-21)26-5-2-6-26/h3-4,11-14H,2,5-10H2,1H3,(H,25,28)
InChIKeySBTMRKJEFMZONX-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.08
Rot. Bonds6

About 6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide

6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide (PubChem CID 167018574) has the molecular formula C23H24FN3O5S and a molecular weight of 473.53 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide
PubChem CID167018574
Molecular FormulaC23H24FN3O5S
Molecular Weight473.53 g/mol
Exact Mass473.14
IUPAC Name6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(N2CCOCC2)cc1S(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1
InChIInChI=1S/C23H24FN3O5S/c1-30-19-4-3-15(27-7-9-31-10-8-27)13-22(19)33(29)25-23(28)21-14-17-18(24)11-16(12-20(17)32-21)26-5-2-6-26/h3-4,11-14H,2,5-10H2,1H3,(H,25,28)
InChIKeySBTMRKJEFMZONX-UHFFFAOYSA-N
XLogP3.08
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-(azetidin-1-yl)-N-(5-cyclopropyl-2-methoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide
CID 167018212
6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide
CID 167018613
6-(azetidin-1-yl)-4-fluoro-N-(2-hydroxy-6-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 167018608
6-(azetidin-1-yl)-4-fluoro-N-[5-(3-fluorophenyl)-2-methoxyphenyl]sulfonyl-1-benzofuran-2-carboxamide
CID 166595908
6-(azetidin-1-yl)-N-(2-ethoxy-5-phenoxyphenyl)sulfanyl-4-fluoro-1-benzofuran-2-carboxamide
CID 167018583
7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 51998270
6-(azetidin-1-yl)-N-[4-(2-cyanoethyl)phenyl]sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
CID 166596494
2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide
CID 11254914
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-3,4-dimethoxybenzamide
CID 110361803
N-(2,4-dimorpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4850126
2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide
CID 110359755
7-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812399

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide (CID 167018574) is 6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide is COc1ccc(N2CCOCC2)cc1S(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1.
What is the InChIKey of 6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The InChIKey is SBTMRKJEFMZONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5S/c1-30-19-4-3-15(27-7-9-31-10-8-27)13-22(19)33(29)25-23(28)21-14-17-18(24)11-16(12-20(17)32-21)26-5-2-6-26/h3-4,11-14H,2,5-10H2,1H3,(H,25,28).
What are the key properties of 6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-4-fluoro-N-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 167018574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).