3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide

C22H22N2O5S2 — CID 23093036

IUPAC3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc(Oc2cc(OC3CCCC3)cc(C(=O)Nc3nccs3)c2)cc1
InChIInChI=1S/C22H22N2O5S2/c1-31(26,27)20-8-6-17(7-9-20)29-19-13-15(21(25)24-22-23-10-11-30-22)12-18(14-19)28-16-4-2-3-5-16/h6-14,16H,2-5H2,1H3,(H,23,24,25)
InChIKeyIPUJCEBFTDHXQV-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.91
Rot. Bonds7

About 3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide

3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 23093036) has the molecular formula C22H22N2O5S2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID23093036
Molecular FormulaC22H22N2O5S2
Molecular Weight458.56 g/mol
Exact Mass458.10
IUPAC Name3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc(Oc2cc(OC3CCCC3)cc(C(=O)Nc3nccs3)c2)cc1
InChIInChI=1S/C22H22N2O5S2/c1-31(26,27)20-8-6-17(7-9-20)29-19-13-15(21(25)24-22-23-10-11-30-22)12-18(14-19)28-16-4-2-3-5-16/h6-14,16H,2-5H2,1H3,(H,23,24,25)
InChIKeyIPUJCEBFTDHXQV-UHFFFAOYSA-N
XLogP4.91
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Glucokinase activator 3
CID 23649243
3-Isopropoxy-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 11154711
3-[(1S)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 11662332
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
3-isopropoxy-5-(4-(methylsulfonyl)phenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 9868203
(+/-)-3-(3-Hydroxy-1-methylpropoxy)-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 10004541
(+/-)-3-(3-Hydroxy-2-methylpropyl)-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 10095113
3-(2-Hydroxyethoxy)-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 10252364
3-(4-methylsulfonylphenoxy)-5-(oxolan-3-yloxy)-N-(1,3-thiazol-2-yl)benzamide
CID 10344232
3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(2-thiazolyl)benzamide
CID 10366412
3-[2-Methoxy-1-(methoxymethyl)ethoxy]-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 10458369
(+/-)-3-(2-Amino-1-methylethoxy)-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 23092965

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide (CID 23093036) is 3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide is CS(=O)(=O)c1ccc(Oc2cc(OC3CCCC3)cc(C(=O)Nc3nccs3)c2)cc1.
What is the InChIKey of 3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is IPUJCEBFTDHXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S2/c1-31(26,27)20-8-6-17(7-9-20)29-19-13-15(21(25)24-22-23-10-11-30-22)12-18(14-19)28-16-4-2-3-5-16/h6-14,16H,2-5H2,1H3,(H,23,24,25).
What are the key properties of 3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 458.56 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 23093036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).