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

C22H32N2O4S — CID 10093613

IUPACN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCCOc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C22H32N2O4S/c1-2-3-4-5-6-7-8-9-20(25)23-14-15-28-18-12-10-17(11-13-18)16-19-21(26)24-22(27)29-19/h10-13,19H,2-9,14-16H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyYIWPDTBPOFQKDA-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.22
Rot. Bonds14

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

N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]decanamide (PubChem CID 10093613) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]decanamide.

Molecular Properties

Compound NameN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]decanamide
PubChem CID10093613
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC NameN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCCOc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C22H32N2O4S/c1-2-3-4-5-6-7-8-9-20(25)23-14-15-28-18-12-10-17(11-13-18)16-19-21(26)24-22(27)29-19/h10-13,19H,2-9,14-16H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyYIWPDTBPOFQKDA-UHFFFAOYSA-N
XLogP4.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.22
H-Bond Donors ≤ 52
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]decanamide?
The IUPAC name of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]decanamide (CID 10093613) is N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]decanamide.
What is the SMILES notation for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]decanamide?
The canonical SMILES for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]decanamide is CCCCCCCCCC(=O)NCCOc1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]decanamide?
The InChIKey is YIWPDTBPOFQKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4S/c1-2-3-4-5-6-7-8-9-20(25)23-14-15-28-18-12-10-17(11-13-18)16-19-21(26)24-22(27)29-19/h10-13,19H,2-9,14-16H2,1H3,(H,23,25)(H,24,26,27).
What are the key properties of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]decanamide?
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]decanamide has a molecular weight of 420.58 g/mol, XLogP of 4.22, 14 rotatable bonds, 2 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]decanamide is sourced from PubChem (CID 10093613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).