3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide

C19H23N3O5S — CID 55744256

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)cn1
InChIInChI=1S/C19H23N3O5S/c1-26-9-10-27-18-7-6-15(13-20-18)14-21-19(23)16-4-2-5-17(12-16)22-8-3-11-28(22,24)25/h2,4-7,12-13H,3,8-11,14H2,1H3,(H,21,23)
InChIKeyGHCWPLJIRMBEMY-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.58
Rot. Bonds8

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide (PubChem CID 55744256) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
PubChem CID55744256
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)cn1
InChIInChI=1S/C19H23N3O5S/c1-26-9-10-27-18-7-6-15(13-20-18)14-21-19(23)16-4-2-5-17(12-16)22-8-3-11-28(22,24)25/h2,4-7,12-13H,3,8-11,14H2,1H3,(H,21,23)
InChIKeyGHCWPLJIRMBEMY-UHFFFAOYSA-N
XLogP1.58
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 41287996
4-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-2-methoxybenzoic acid
CID 166181534
3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 7659003
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55876377
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
CID 46475375
N-[2-(benzylamino)-2-oxoethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55676305
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55508802
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279
N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119549268
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 159353207
3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55744605

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide (CID 55744256) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide is COCCOc1ccc(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)cn1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The InChIKey is GHCWPLJIRMBEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-26-9-10-27-18-7-6-15(13-20-18)14-21-19(23)16-4-2-5-17(12-16)22-8-3-11-28(22,24)25/h2,4-7,12-13H,3,8-11,14H2,1H3,(H,21,23).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide has a molecular weight of 405.48 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55744256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).