N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide

C18H16N2O4S — CID 23125162

IUPACN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C18H16N2O4S/c21-16(11-24-15-4-2-1-3-5-15)19-14-8-6-13(7-9-14)10-20-17(22)12-25-18(20)23/h1-9H,10-12H2,(H,19,21)
InChIKeyYWJGWYVHZWNCDX-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.90
Rot. Bonds6

About N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide

N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide (PubChem CID 23125162) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide
PubChem CID23125162
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C18H16N2O4S/c21-16(11-24-15-4-2-1-3-5-15)19-14-8-6-13(7-9-14)10-20-17(22)12-25-18(20)23/h1-9H,10-12H2,(H,19,21)
InChIKeyYWJGWYVHZWNCDX-UHFFFAOYSA-N
XLogP2.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 23125222
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 56566646
N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
CID 114299206
N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide
CID 114310874
(E)-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 56508153
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 3155220
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982593
2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid
CID 154356336
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide
CID 112984120
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide
CID 119762304
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide (CID 23125162) is N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(CN2C(=O)CSC2=O)cc1.
What is the InChIKey of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide?
The InChIKey is YWJGWYVHZWNCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c21-16(11-24-15-4-2-1-3-5-15)19-14-8-6-13(7-9-14)10-20-17(22)12-25-18(20)23/h1-9H,10-12H2,(H,19,21).
What are the key properties of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide?
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide has a molecular weight of 356.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 23125162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).