N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide

C22H23N3O4S — CID 10550306

IUPACN-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(N2CCCC2)cc1)Nc1cc(CC2SC(=O)NC2=O)ccc1O
InChIInChI=1S/C22H23N3O4S/c26-18-8-5-15(12-19-21(28)24-22(29)30-19)11-17(18)23-20(27)13-14-3-6-16(7-4-14)25-9-1-2-10-25/h3-8,11,19,26H,1-2,9-10,12-13H2,(H,23,27)(H,24,28,29)
InChIKeyMMIZVUQMNSKVNQ-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.07
Rot. Bonds6

About N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide

N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 10550306) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID10550306
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(N2CCCC2)cc1)Nc1cc(CC2SC(=O)NC2=O)ccc1O
InChIInChI=1S/C22H23N3O4S/c26-18-8-5-15(12-19-21(28)24-22(29)30-19)11-17(18)23-20(27)13-14-3-6-16(7-4-14)25-9-1-2-10-25/h3-8,11,19,26H,1-2,9-10,12-13H2,(H,23,27)(H,24,28,29)
InChIKeyMMIZVUQMNSKVNQ-UHFFFAOYSA-N
XLogP3.07
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide
CID 10571429
5-[(3,4-dihydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3061687
4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 22220503
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649990
2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyphenyl)acetamide
CID 1213000
N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide
CID 110651282
2-(4-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 26070733
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110651208
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid
CID 4970447
2-[4-oxo-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 153327113
2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400406

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide (CID 10550306) is N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(Cc1ccc(N2CCCC2)cc1)Nc1cc(CC2SC(=O)NC2=O)ccc1O.
What is the InChIKey of N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is MMIZVUQMNSKVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c26-18-8-5-15(12-19-21(28)24-22(29)30-19)11-17(18)23-20(27)13-14-3-6-16(7-4-14)25-9-1-2-10-25/h3-8,11,19,26H,1-2,9-10,12-13H2,(H,23,27)(H,24,28,29).
What are the key properties of N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide?
N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 425.51 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 10550306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).