[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate

C18H14N2O5S2 — CID 25186387

IUPAC[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate
SMILESCS(=O)(=O)c1cnc(NC(=O)c2ccccc2OC(=O)c2ccccc2)s1
InChIInChI=1S/C18H14N2O5S2/c1-27(23,24)15-11-19-18(26-15)20-16(21)13-9-5-6-10-14(13)25-17(22)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20,21)
InChIKeyJMAAXZBVFYJSFY-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.02
Rot. Bonds5

About [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate

[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate (PubChem CID 25186387) has the molecular formula C18H14N2O5S2 and a molecular weight of 402.45 g/mol. Its IUPAC name is [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate.

Molecular Properties

Compound Name[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate
PubChem CID25186387
Molecular FormulaC18H14N2O5S2
Molecular Weight402.45 g/mol
Exact Mass402.03
IUPAC Name[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate
SMILESCS(=O)(=O)c1cnc(NC(=O)c2ccccc2OC(=O)c2ccccc2)s1
InChIInChI=1S/C18H14N2O5S2/c1-27(23,24)15-11-19-18(26-15)20-16(21)13-9-5-6-10-14(13)25-17(22)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20,21)
InChIKeyJMAAXZBVFYJSFY-UHFFFAOYSA-N
XLogP3.02
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Nitazoxanide
CID 41684
2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2558548
2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 669871
[2-[(5-Chlorothiazol-2-yl)carbamoyl]-6-methyl-phenyl] acetate
CID 11673989
2-(Acetyloxy)-N-(5-chloro-2-thiazolyl)benzamide
CID 53309690
2-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 652520
Benzamide, 2-(acetyloxy)-N-(5-bromo-2-thiazolyl)-
CID 11609814
[2-Methyl-6-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] acetate
CID 11645459
[2-[(5-Bromothiazol-2-yl)carbamoyl]-4-methyl-phenyl] acetate
CID 11956389
[2-[[5-(Trifluoromethyl)thiazol-2-yl]carbamoyl]phenyl] acetate
CID 49775775
2-(2-Phenylphenoxy)-5-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 71718164
2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2787065

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate?
The IUPAC name of [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate (CID 25186387) is [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate.
What is the SMILES notation for [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate?
The canonical SMILES for [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate is CS(=O)(=O)c1cnc(NC(=O)c2ccccc2OC(=O)c2ccccc2)s1.
What is the InChIKey of [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate?
The InChIKey is JMAAXZBVFYJSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5S2/c1-27(23,24)15-11-19-18(26-15)20-16(21)13-9-5-6-10-14(13)25-17(22)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20,21).
What are the key properties of [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate?
[2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate has a molecular weight of 402.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] benzoate is sourced from PubChem (CID 25186387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).