4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide

C19H22N2O4S — CID 9456726

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-15-3-9-18(10-4-15)25-13-11-20-19(22)16-5-7-17(8-6-16)21-12-2-14-26(21,23)24/h3-10H,2,11-14H2,1H3,(H,20,22)
InChIKeyIMYSPBMMAINFTF-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.34
Rot. Bonds6

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide (PubChem CID 9456726) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide
PubChem CID9456726
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-15-3-9-18(10-4-15)25-13-11-20-19(22)16-5-7-17(8-6-16)21-12-2-14-26(21,23)24/h3-10H,2,11-14H2,1H3,(H,20,22)
InChIKeyIMYSPBMMAINFTF-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9490187
N-[2-(3-bromophenoxy)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55919720
N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide
CID 70704015
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate
CID 55514544
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline
CID 71890029
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 7483201
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55904558
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
CID 18169101
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide
CID 120829578

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide (CID 9456726) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide is Cc1ccc(OCCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide?
The InChIKey is IMYSPBMMAINFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15-3-9-18(10-4-15)25-13-11-20-19(22)16-5-7-17(8-6-16)21-12-2-14-26(21,23)24/h3-10H,2,11-14H2,1H3,(H,20,22).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 9456726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).