N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C20H19N3O5S — CID 55934242

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O
InChIInChI=1S/C20H19N3O5S/c1-13-15-5-2-3-6-16(15)20(26)22(13)12-19(25)21-17-11-14(7-8-18(17)24)23-9-4-10-29(23,27)28/h2-3,5-8,11,24H,1,4,9-10,12H2,(H,21,25)
InChIKeyWOKJGSSCNABQMV-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.00
Rot. Bonds4

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 55934242) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID55934242
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O
InChIInChI=1S/C20H19N3O5S/c1-13-15-5-2-3-6-16(15)20(26)22(13)12-19(25)21-17-11-14(7-8-18(17)24)23-9-4-10-29(23,27)28/h2-3,5-8,11,24H,1,4,9-10,12H2,(H,21,25)
InChIKeyWOKJGSSCNABQMV-UHFFFAOYSA-N
XLogP2.00
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.00
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

2-(1,3-dioxoisoindol-2-yl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 7483167
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide
CID 47049367
2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide
CID 7584600
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(4-methylphenyl)acetamide
CID 47049370
N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide
CID 55815050
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 55815176
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-(3-methylphenyl)propanamide
CID 55932837
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-iodobenzamide
CID 55815207
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110361923
2,3-dichloro-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide
CID 55815013
2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid
CID 108764244
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 51317122

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 55934242) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is WOKJGSSCNABQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-13-15-5-2-3-6-16(15)20(26)22(13)12-19(25)21-17-11-14(7-8-18(17)24)23-9-4-10-29(23,27)28/h2-3,5-8,11,24H,1,4,9-10,12H2,(H,21,25).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 413.46 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 55934242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).