1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide

C20H20ClN3O5S — CID 55815204

IUPAC1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C20H20ClN3O5S/c21-14-3-1-4-15(10-14)23-12-13(9-19(23)26)20(27)22-17-11-16(5-6-18(17)25)24-7-2-8-30(24,28)29/h1,3-6,10-11,13,25H,2,7-9,12H2,(H,22,27)
InChIKeyRYTPBSCFTCLOAR-UHFFFAOYSA-N
MW449.92 g/mol
LogP2.58
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide

1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55815204) has the molecular formula C20H20ClN3O5S and a molecular weight of 449.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55815204
Molecular FormulaC20H20ClN3O5S
Molecular Weight449.92 g/mol
Exact Mass449.08
IUPAC Name1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C20H20ClN3O5S/c21-14-3-1-4-15(10-14)23-12-13(9-19(23)26)20(27)22-17-11-16(5-6-18(17)25)24-7-2-8-30(24,28)29/h1,3-6,10-11,13,25H,2,7-9,12H2,(H,22,27)
InChIKeyRYTPBSCFTCLOAR-UHFFFAOYSA-N
XLogP2.58
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439
(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091
2,3-dichloro-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide
CID 55815013
1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581
(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260387
1-(3-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55582549
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 53499513
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46581359
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
N-(2,5-dichlorophenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791026
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide (CID 55815204) is 1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)C1CC(=O)N(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RYTPBSCFTCLOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5S/c21-14-3-1-4-15(10-14)23-12-13(9-19(23)26)20(27)22-17-11-16(5-6-18(17)25)24-7-2-8-30(24,28)29/h1,3-6,10-11,13,25H,2,7-9,12H2,(H,22,27).
What are the key properties of 1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 449.92 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55815204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).