2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide

C22H30N2O3S2 — CID 5205492

IUPAC2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(C)s2)c1=O
InChIInChI=1S/C22H30N2O3S2/c1-7-8-14(2)23-19(26)13-24-20(12-18(25)22(4,5)6)29-17(21(24)27)11-16-10-9-15(3)28-16/h9-12,14H,7-8,13H2,1-6H3,(H,23,26)
InChIKeyFCTPWPAFCTXGSW-UHFFFAOYSA-N
MW434.63 g/mol
LogP2.81
Rot. Bonds7

About 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide

2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide (PubChem CID 5205492) has the molecular formula C22H30N2O3S2 and a molecular weight of 434.63 g/mol. Its IUPAC name is 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide
PubChem CID5205492
Molecular FormulaC22H30N2O3S2
Molecular Weight434.63 g/mol
Exact Mass434.17
IUPAC Name2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(C)s2)c1=O
InChIInChI=1S/C22H30N2O3S2/c1-7-8-14(2)23-19(26)13-24-20(12-18(25)22(4,5)6)29-17(21(24)27)11-16-10-9-15(3)28-16/h9-12,14H,7-8,13H2,1-6H3,(H,23,26)
InChIKeyFCTPWPAFCTXGSW-UHFFFAOYSA-N
XLogP2.81
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide (CID 5205492) is 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(C)s2)c1=O.
What is the InChIKey of 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide?
The InChIKey is FCTPWPAFCTXGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S2/c1-7-8-14(2)23-19(26)13-24-20(12-18(25)22(4,5)6)29-17(21(24)27)11-16-10-9-15(3)28-16/h9-12,14H,7-8,13H2,1-6H3,(H,23,26).
What are the key properties of 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide?
2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide has a molecular weight of 434.63 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 5205492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).