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

C18H16N2O4S2 — CID 44572250

IUPAC3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(Oc3cccc(S(C)(=O)=O)c3)c2)n1
InChIInChI=1S/C18H16N2O4S2/c1-12-11-25-18(19-12)20-17(21)13-5-3-6-14(9-13)24-15-7-4-8-16(10-15)26(2,22)23/h3-11H,1-2H3,(H,19,20,21)
InChIKeyZIDIGQGEQKOPFT-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.90
Rot. Bonds5

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

3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 44572250) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID44572250
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(Oc3cccc(S(C)(=O)=O)c3)c2)n1
InChIInChI=1S/C18H16N2O4S2/c1-12-11-25-18(19-12)20-17(21)13-5-3-6-14(9-13)24-15-7-4-8-16(10-15)26(2,22)23/h3-11H,1-2H3,(H,19,20,21)
InChIKeyZIDIGQGEQKOPFT-UHFFFAOYSA-N
XLogP3.90
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 44572250) is 3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cccc(Oc3cccc(S(C)(=O)=O)c3)c2)n1.
What is the InChIKey of 3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZIDIGQGEQKOPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c1-12-11-25-18(19-12)20-17(21)13-5-3-6-14(9-13)24-15-7-4-8-16(10-15)26(2,22)23/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 388.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 44572250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).