N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide

C19H21N3O5S — CID 45494621

IUPACN'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(O)cc1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C19H21N3O5S/c23-17-7-5-14(6-8-17)9-10-20-18(24)19(25)21-15-3-1-4-16(13-15)22-11-2-12-28(22,26)27/h1,3-8,13,23H,2,9-12H2,(H,20,24)(H,21,25)
InChIKeyUMAWTPIEBFQLBI-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.23
Rot. Bonds5

About N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide

N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide (PubChem CID 45494621) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
PubChem CID45494621
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(O)cc1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C19H21N3O5S/c23-17-7-5-14(6-8-17)9-10-20-18(24)19(25)21-15-3-1-4-16(13-15)22-11-2-12-28(22,26)27/h1,3-8,13,23H,2,9-12H2,(H,20,24)(H,21,25)
InChIKeyUMAWTPIEBFQLBI-UHFFFAOYSA-N
XLogP1.23
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide
CID 7638922
N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-(2-phenylethyl)oxamide
CID 7584678
N-(1H-benzimidazol-2-ylmethyl)-N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide
CID 51048789
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-oxo-2-piperidin-1-ylacetamide
CID 45493330
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(4-methylphenyl)butanamide
CID 110302263
N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119549268
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110303569
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide
CID 110302278
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(3-fluorophenyl)propanamide
CID 110621350
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide
CID 112824130
N'-(3-chlorophenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891562

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The IUPAC name of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide (CID 45494621) is N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide is O=C(NCCc1ccc(O)cc1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The InChIKey is UMAWTPIEBFQLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c23-17-7-5-14(6-8-17)9-10-20-18(24)19(25)21-15-3-1-4-16(13-15)22-11-2-12-28(22,26)27/h1,3-8,13,23H,2,9-12H2,(H,20,24)(H,21,25).
What are the key properties of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide has a molecular weight of 403.46 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide is sourced from PubChem (CID 45494621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).