N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide

C30H24N2O3S — CID 6477601

IUPACN-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2c2ccccc2)cc1
InChIInChI=1S/C30H24N2O3S/c1-21(33)31-24-15-17-25(18-16-24)32-29(34)28(36-30(32)23-10-4-2-5-11-23)20-22-9-8-14-27(19-22)35-26-12-6-3-7-13-26/h2-20,30H,1H3,(H,31,33)/b28-20-
InChIKeyIZCHWBDIAIYRLL-RRAHZORUSA-N
MW492.60 g/mol
LogP7.26
Rot. Bonds6

About N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide

N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide (PubChem CID 6477601) has the molecular formula C30H24N2O3S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide
PubChem CID6477601
Molecular FormulaC30H24N2O3S
Molecular Weight492.60 g/mol
Exact Mass492.15
IUPAC NameN-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2c2ccccc2)cc1
InChIInChI=1S/C30H24N2O3S/c1-21(33)31-24-15-17-25(18-16-24)32-29(34)28(36-30(32)23-10-4-2-5-11-23)20-22-9-8-14-27(19-22)35-26-12-6-3-7-13-26/h2-20,30H,1H3,(H,31,33)/b28-20-
InChIKeyIZCHWBDIAIYRLL-RRAHZORUSA-N
XLogP7.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide (CID 6477601) is N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2c2ccccc2)cc1.
What is the InChIKey of N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide?
The InChIKey is IZCHWBDIAIYRLL-RRAHZORUSA-N. The full InChI is InChI=1S/C30H24N2O3S/c1-21(33)31-24-15-17-25(18-16-24)32-29(34)28(36-30(32)23-10-4-2-5-11-23)20-22-9-8-14-27(19-22)35-26-12-6-3-7-13-26/h2-20,30H,1H3,(H,31,33)/b28-20-.
What are the key properties of N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide?
N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide has a molecular weight of 492.60 g/mol, XLogP of 7.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5Z)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-3-yl]phenyl]acetamide is sourced from PubChem (CID 6477601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).