N-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide

C18H20N2O4S — CID 51353973

IUPACN-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)NC1CCCCC1
InChIInChI=1S/C18H20N2O4S/c21-16(19-13-4-2-1-3-5-13)11-24-14-8-6-12(7-9-14)10-15-17(22)20-18(23)25-15/h6-10,13H,1-5,11H2,(H,19,21)(H,20,22,23)/b15-10-
InChIKeySXJNPXFBRFFSJI-GDNBJRDFSA-N
MW360.44 g/mol
LogP2.84
Rot. Bonds5

About N-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide

N-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide (PubChem CID 51353973) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
PubChem CID51353973
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)NC1CCCCC1
InChIInChI=1S/C18H20N2O4S/c21-16(19-13-4-2-1-3-5-13)11-24-14-8-6-12(7-9-14)10-15-17(22)20-18(23)25-15/h6-10,13H,1-5,11H2,(H,19,21)(H,20,22,23)/b15-10-
InChIKeySXJNPXFBRFFSJI-GDNBJRDFSA-N
XLogP2.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide (CID 51353973) is N-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
The InChIKey is SXJNPXFBRFFSJI-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-16(19-13-4-2-1-3-5-13)11-24-14-8-6-12(7-9-14)10-15-17(22)20-18(23)25-15/h6-10,13H,1-5,11H2,(H,19,21)(H,20,22,23)/b15-10-.
What are the key properties of N-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
N-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide has a molecular weight of 360.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 51353973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).