(NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide

C17H16N2O3S3 — CID 6534627

IUPAC(NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
SMILESCCN1C(=O)/C(=C/c2cccs2)S/C1=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H16N2O3S3/c1-3-19-16(20)15(11-13-5-4-10-23-13)24-17(19)18-25(21,22)14-8-6-12(2)7-9-14/h4-11H,3H2,1-2H3/b15-11-,18-17-
InChIKeyHYCFNKMHCQYCBC-NPAMKKHASA-N
MW392.53 g/mol
LogP3.74
Rot. Bonds4

About (NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide

(NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide (PubChem CID 6534627) has the molecular formula C17H16N2O3S3 and a molecular weight of 392.53 g/mol. Its IUPAC name is (NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
PubChem CID6534627
Molecular FormulaC17H16N2O3S3
Molecular Weight392.53 g/mol
Exact Mass392.03
IUPAC Name(NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
SMILESCCN1C(=O)/C(=C/c2cccs2)S/C1=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H16N2O3S3/c1-3-19-16(20)15(11-13-5-4-10-23-13)24-17(19)18-25(21,22)14-8-6-12(2)7-9-14/h4-11H,3H2,1-2H3/b15-11-,18-17-
InChIKeyHYCFNKMHCQYCBC-NPAMKKHASA-N
XLogP3.74
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide (CID 6534627) is (NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide is CCN1C(=O)/C(=C/c2cccs2)S/C1=N\S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide?
The InChIKey is HYCFNKMHCQYCBC-NPAMKKHASA-N. The full InChI is InChI=1S/C17H16N2O3S3/c1-3-19-16(20)15(11-13-5-4-10-23-13)24-17(19)18-25(21,22)14-8-6-12(2)7-9-14/h4-11H,3H2,1-2H3/b15-11-,18-17-.
What are the key properties of (NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide has a molecular weight of 392.53 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(5Z)-3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6534627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).