N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide

C13H18N2O5S — CID 49090761

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCCS2(=O)=O)c(O)c1
InChIInChI=1S/C13H18N2O5S/c1-20-10-3-4-11(12(16)9-10)13(17)14-5-7-15-6-2-8-21(15,18)19/h3-4,9,16H,2,5-8H2,1H3,(H,14,17)
InChIKeyVNFZAOKQJYXKME-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.17
Rot. Bonds5

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 49090761) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide
PubChem CID49090761
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCCS2(=O)=O)c(O)c1
InChIInChI=1S/C13H18N2O5S/c1-20-10-3-4-11(12(16)9-10)13(17)14-5-7-15-6-2-8-21(15,18)19/h3-4,9,16H,2,5-8H2,1H3,(H,14,17)
InChIKeyVNFZAOKQJYXKME-UHFFFAOYSA-N
XLogP0.17
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 49090758
2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 103722588
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide
CID 60616296
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110720933
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
2-hydroxy-4-methoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 51186865
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxy-4-methoxybenzamide
CID 63316349
4-[(2,5-dimethoxyphenyl)methyl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111303209

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide (CID 49090761) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCCN2CCCS2(=O)=O)c(O)c1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is VNFZAOKQJYXKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-20-10-3-4-11(12(16)9-10)13(17)14-5-7-15-6-2-8-21(15,18)19/h3-4,9,16H,2,5-8H2,1H3,(H,14,17).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 314.36 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 49090761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).