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

C22H24N2O7S2 — CID 10458369

IUPAC3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCOCC(COC)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C22H24N2O7S2/c1-28-13-19(14-29-2)31-18-11-15(21(25)24-22-23-8-9-32-22)10-17(12-18)30-16-4-6-20(7-5-16)33(3,26)27/h4-12,19H,13-14H2,1-3H3,(H,23,24,25)
InChIKeyJIPIXXHHVRRHOK-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.63
Rot. Bonds11

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

3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 10458369) has the molecular formula C22H24N2O7S2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID10458369
Molecular FormulaC22H24N2O7S2
Molecular Weight492.58 g/mol
Exact Mass492.10
IUPAC Name3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCOCC(COC)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C22H24N2O7S2/c1-28-13-19(14-29-2)31-18-11-15(21(25)24-22-23-8-9-32-22)10-17(12-18)30-16-4-6-20(7-5-16)33(3,26)27/h4-12,19H,13-14H2,1-3H3,(H,23,24,25)
InChIKeyJIPIXXHHVRRHOK-UHFFFAOYSA-N
XLogP3.63
TPSA113.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide (CID 10458369) is 3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide is COCC(COC)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is JIPIXXHHVRRHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O7S2/c1-28-13-19(14-29-2)31-18-11-15(21(25)24-22-23-8-9-32-22)10-17(12-18)30-16-4-6-20(7-5-16)33(3,26)27/h4-12,19H,13-14H2,1-3H3,(H,23,24,25).
What are the key properties of 3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 492.58 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 10458369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).