N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide

C16H22N2O3S — CID 3847513

IUPACN-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
SMILESCCOCCCN1C(=O)CSC1c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H22N2O3S/c1-3-21-10-4-9-18-15(20)11-22-16(18)13-5-7-14(8-6-13)17-12(2)19/h5-8,16H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyASFGCRAZCNWQLF-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.65
Rot. Bonds7

About N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide

N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide (PubChem CID 3847513) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
PubChem CID3847513
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
SMILESCCOCCCN1C(=O)CSC1c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H22N2O3S/c1-3-21-10-4-9-18-15(20)11-22-16(18)13-5-7-14(8-6-13)17-12(2)19/h5-8,16H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyASFGCRAZCNWQLF-UHFFFAOYSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide (CID 3847513) is N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide is CCOCCCN1C(=O)CSC1c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide?
The InChIKey is ASFGCRAZCNWQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-3-21-10-4-9-18-15(20)11-22-16(18)13-5-7-14(8-6-13)17-12(2)19/h5-8,16H,3-4,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide?
N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide has a molecular weight of 322.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 3847513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).