3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide

C22H24N2O5S2 — CID 141099322

IUPAC3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCCCOc1c(Oc2ccc(S(C)(=O)=O)cc2)cccc1C(=O)Nc1nccs1
InChIInChI=1S/C22H24N2O5S2/c1-3-4-5-14-28-20-18(21(25)24-22-23-13-15-30-22)7-6-8-19(20)29-16-9-11-17(12-10-16)31(2,26)27/h6-13,15H,3-5,14H2,1-2H3,(H,23,24,25)
InChIKeyZSAHIVKVUOEKOU-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.16
Rot. Bonds10

About 3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide

3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 141099322) has the molecular formula C22H24N2O5S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID141099322
Molecular FormulaC22H24N2O5S2
Molecular Weight460.58 g/mol
Exact Mass460.11
IUPAC Name3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCCCOc1c(Oc2ccc(S(C)(=O)=O)cc2)cccc1C(=O)Nc1nccs1
InChIInChI=1S/C22H24N2O5S2/c1-3-4-5-14-28-20-18(21(25)24-22-23-13-15-30-22)7-6-8-19(20)29-16-9-11-17(12-10-16)31(2,26)27/h6-13,15H,3-5,14H2,1-2H3,(H,23,24,25)
InChIKeyZSAHIVKVUOEKOU-UHFFFAOYSA-N
XLogP5.16
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide 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

2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168
2-hexoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4942599
2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 4733269
[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate
CID 90933824
3-[2-(hydroxymethyl)prop-2-enyl]-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 10049120
3-(1-hydroxy-3-methylbutan-2-yl)oxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 23093081
4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666591
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 162319898
3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 45268965
4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295292

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide (CID 141099322) is 3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide is CCCCCOc1c(Oc2ccc(S(C)(=O)=O)cc2)cccc1C(=O)Nc1nccs1.
What is the InChIKey of 3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is ZSAHIVKVUOEKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S2/c1-3-4-5-14-28-20-18(21(25)24-22-23-13-15-30-22)7-6-8-19(20)29-16-9-11-17(12-10-16)31(2,26)27/h6-13,15H,3-5,14H2,1-2H3,(H,23,24,25).
What are the key properties of 3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide?
3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 460.58 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 141099322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).