(2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one

C19H17NO4S2 — CID 2091055

IUPAC(2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one
SMILESCc1ccc(S(=O)(=O)/C=C2\SCC(=O)N2CC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17NO4S2/c1-14-7-9-16(10-8-14)26(23,24)13-19-20(18(22)12-25-19)11-17(21)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3/b19-13-
InChIKeyGBILIPOVGFMWGN-UYRXBGFRSA-N
MW387.48 g/mol
LogP3.03
Rot. Bonds5

About (2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one

(2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one (PubChem CID 2091055) has the molecular formula C19H17NO4S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one
PubChem CID2091055
Molecular FormulaC19H17NO4S2
Molecular Weight387.48 g/mol
Exact Mass387.06
IUPAC Name(2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one
SMILESCc1ccc(S(=O)(=O)/C=C2\SCC(=O)N2CC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17NO4S2/c1-14-7-9-16(10-8-14)26(23,24)13-19-20(18(22)12-25-19)11-17(21)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3/b19-13-
InChIKeyGBILIPOVGFMWGN-UYRXBGFRSA-N
XLogP3.03
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one (CID 2091055) is (2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one is Cc1ccc(S(=O)(=O)/C=C2\SCC(=O)N2CC(=O)c2ccccc2)cc1.
What is the InChIKey of (2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one?
The InChIKey is GBILIPOVGFMWGN-UYRXBGFRSA-N. The full InChI is InChI=1S/C19H17NO4S2/c1-14-7-9-16(10-8-14)26(23,24)13-19-20(18(22)12-25-19)11-17(21)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3/b19-13-.
What are the key properties of (2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one?
(2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one has a molecular weight of 387.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2091055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).