N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide

C23H34N2O4S — CID 10433070

IUPACN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide
SMILESCCCCCCCCCC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C23H34N2O4S/c1-3-4-5-6-7-8-9-10-21(26)25(2)15-16-29-19-13-11-18(12-14-19)17-20-22(27)24-23(28)30-20/h11-14,20H,3-10,15-17H2,1-2H3,(H,24,27,28)
InChIKeyNDFNNAKZGHJJMW-UHFFFAOYSA-N
MW434.60 g/mol
LogP4.56
Rot. Bonds14

About N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide

N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide (PubChem CID 10433070) has the molecular formula C23H34N2O4S and a molecular weight of 434.60 g/mol. Its IUPAC name is N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide.

Molecular Properties

Compound NameN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide
PubChem CID10433070
Molecular FormulaC23H34N2O4S
Molecular Weight434.60 g/mol
Exact Mass434.22
IUPAC NameN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide
SMILESCCCCCCCCCC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C23H34N2O4S/c1-3-4-5-6-7-8-9-10-21(26)25(2)15-16-29-19-13-11-18(12-14-19)17-20-22(27)24-23(28)30-20/h11-14,20H,3-10,15-17H2,1-2H3,(H,24,27,28)
InChIKeyNDFNNAKZGHJJMW-UHFFFAOYSA-N
XLogP4.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide?
The IUPAC name of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide (CID 10433070) is N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide.
What is the SMILES notation for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide?
The canonical SMILES for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide is CCCCCCCCCC(=O)N(C)CCOc1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide?
The InChIKey is NDFNNAKZGHJJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4S/c1-3-4-5-6-7-8-9-10-21(26)25(2)15-16-29-19-13-11-18(12-14-19)17-20-22(27)24-23(28)30-20/h11-14,20H,3-10,15-17H2,1-2H3,(H,24,27,28).
What are the key properties of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide?
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide has a molecular weight of 434.60 g/mol, XLogP of 4.56, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyldecanamide is sourced from PubChem (CID 10433070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).