N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide

C26H20N2O4S — CID 175547869

IUPACN-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)N(C(=O)c2ccc(C)cc2)c2ccc(C=C3SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C26H20N2O4S/c1-16-3-9-19(10-4-16)24(30)28(25(31)20-11-5-17(2)6-12-20)21-13-7-18(8-14-21)15-22-23(29)27-26(32)33-22/h3-15H,1-2H3,(H,27,29,32)
InChIKeyGRKUVBDDGQYEBF-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.11
Rot. Bonds4

About N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide

N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide (PubChem CID 175547869) has the molecular formula C26H20N2O4S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide.

Molecular Properties

Compound NameN-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide
PubChem CID175547869
Molecular FormulaC26H20N2O4S
Molecular Weight456.52 g/mol
Exact Mass456.11
IUPAC NameN-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)N(C(=O)c2ccc(C)cc2)c2ccc(C=C3SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C26H20N2O4S/c1-16-3-9-19(10-4-16)24(30)28(25(31)20-11-5-17(2)6-12-20)21-13-7-18(8-14-21)15-22-23(29)27-26(32)33-22/h3-15H,1-2H3,(H,27,29,32)
InChIKeyGRKUVBDDGQYEBF-UHFFFAOYSA-N
XLogP5.11
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide with MolForge

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Related Compounds

4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135766142
(5E)-5-[[4-(4-methylphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 71570691
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135403926
methyl 4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135766175
(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6374855
2-[(4-methylphenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 4278965
(5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 150006835
(5Z)-5-[[4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 59099662
(5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135766048
5-[[4-(4-ethylphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 141228477
N-[[3-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]phenyl]methyl]-N-ethylbenzamide
CID 87953513
(5E)-5-[[4-(3-ethylazetidine-1-carbonyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 166236397

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide?
The IUPAC name of N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide (CID 175547869) is N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide.
What is the SMILES notation for N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide?
The canonical SMILES for N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide is Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2)c2ccc(C=C3SC(=O)NC3=O)cc2)cc1.
What is the InChIKey of N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide?
The InChIKey is GRKUVBDDGQYEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4S/c1-16-3-9-19(10-4-16)24(30)28(25(31)20-11-5-17(2)6-12-20)21-13-7-18(8-14-21)15-22-23(29)27-26(32)33-22/h3-15H,1-2H3,(H,27,29,32).
What are the key properties of N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide?
N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide has a molecular weight of 456.52 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide is sourced from PubChem (CID 175547869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).