6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide

C22H17FN2O4S — CID 167018613

IUPAC6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)c1cc(O)cc2ccccc12)c1cc2c(F)cc(N3CCC3)cc2o1
InChIInChI=1S/C22H17FN2O4S/c23-18-9-14(25-6-3-7-25)10-19-17(18)12-20(29-19)22(27)24-30(28)21-11-15(26)8-13-4-1-2-5-16(13)21/h1-2,4-5,8-12,26H,3,6-7H2,(H,24,27)
InChIKeyLRTQUNSCYLTINM-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.09
Rot. Bonds4

About 6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide

6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide (PubChem CID 167018613) has the molecular formula C22H17FN2O4S and a molecular weight of 424.45 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide
PubChem CID167018613
Molecular FormulaC22H17FN2O4S
Molecular Weight424.45 g/mol
Exact Mass424.09
IUPAC Name6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)c1cc(O)cc2ccccc12)c1cc2c(F)cc(N3CCC3)cc2o1
InChIInChI=1S/C22H17FN2O4S/c23-18-9-14(25-6-3-7-25)10-19-17(18)12-20(29-19)22(27)24-30(28)21-11-15(26)8-13-4-1-2-5-16(13)21/h1-2,4-5,8-12,26H,3,6-7H2,(H,24,27)
InChIKeyLRTQUNSCYLTINM-UHFFFAOYSA-N
XLogP4.09
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2-methoxy-5-morpholin-4-ylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 167018574
6-(azetidin-1-yl)-N-(5-cyclopropyl-2-methoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide
CID 167018212
6-(azetidin-1-yl)-N-[2-(2,2-difluoroethoxy)-6-ethoxyphenyl]sulfinyl-4-fluoro-1-benzofuran-2-carboxamide
CID 167018142
6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 167018347
2-[[6-(azetidin-1-yl)-4-fluoro-1-benzofuran-2-carbonyl]amino]sulfanyl-N,N-dimethylpyridine-3-carboxamide
CID 167018634
6-(azetidin-1-yl)-N-(2,6-dipropoxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
CID 166595846
6-(azetidin-1-yl)-N-[4-(2-cyanoethyl)phenyl]sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
CID 166596494
6-(azetidin-1-yl)-N-(2-ethoxy-5-phenoxyphenyl)sulfanyl-4-fluoro-1-benzofuran-2-carboxamide
CID 167018583
6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide
CID 167006960
6-(azetidin-1-yl)-4-fluoro-N-[5-(3-fluorophenyl)-2-methoxyphenyl]sulfonyl-1-benzofuran-2-carboxamide
CID 166595908
N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155244834

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide (CID 167018613) is 6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide is O=C(NS(=O)c1cc(O)cc2ccccc12)c1cc2c(F)cc(N3CCC3)cc2o1.
What is the InChIKey of 6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide?
The InChIKey is LRTQUNSCYLTINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4S/c23-18-9-14(25-6-3-7-25)10-19-17(18)12-20(29-19)22(27)24-30(28)21-11-15(26)8-13-4-1-2-5-16(13)21/h1-2,4-5,8-12,26H,3,6-7H2,(H,24,27).
What are the key properties of 6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide?
6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-4-fluoro-N-(3-hydroxynaphthalen-1-yl)sulfinyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 167018613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).