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

C23H19N3O4S2 — CID 76685222

IUPAC3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C23H19N3O4S2/c1-15-4-3-9-24-21(15)16-12-17(22(27)26-23-25-10-11-31-23)14-19(13-16)30-18-5-7-20(8-6-18)32(2,28)29/h3-14H,1-2H3,(H,25,26,27)
InChIKeyNUKLCFPZRXALBO-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.96
Rot. Bonds6

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

3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 76685222) has the molecular formula C23H19N3O4S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID76685222
Molecular FormulaC23H19N3O4S2
Molecular Weight465.56 g/mol
Exact Mass465.08
IUPAC Name3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C23H19N3O4S2/c1-15-4-3-9-24-21(15)16-12-17(22(27)26-23-25-10-11-31-23)14-19(13-16)30-18-5-7-20(8-6-18)32(2,28)29/h3-14H,1-2H3,(H,25,26,27)
InChIKeyNUKLCFPZRXALBO-UHFFFAOYSA-N
XLogP4.96
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide (CID 76685222) is 3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide is Cc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is NUKLCFPZRXALBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S2/c1-15-4-3-9-24-21(15)16-12-17(22(27)26-23-25-10-11-31-23)14-19(13-16)30-18-5-7-20(8-6-18)32(2,28)29/h3-14H,1-2H3,(H,25,26,27).
What are the key properties of 3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide?
3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 465.56 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 76685222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).