3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide

C24H32N4O3S — CID 55624572

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
SMILESCc1cccc(N2CCN(CCCNC(=O)c3cccc(N4CCCS4(=O)=O)c3)CC2)c1
InChIInChI=1S/C24H32N4O3S/c1-20-6-2-8-22(18-20)27-15-13-26(14-16-27)11-4-10-25-24(29)21-7-3-9-23(19-21)28-12-5-17-32(28,30)31/h2-3,6-9,18-19H,4-5,10-17H2,1H3,(H,25,29)
InChIKeyJJYMEVWEBFDZFR-UHFFFAOYSA-N
MW456.61 g/mol
LogP2.48
Rot. Bonds7

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide (PubChem CID 55624572) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
PubChem CID55624572
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
SMILESCc1cccc(N2CCN(CCCNC(=O)c3cccc(N4CCCS4(=O)=O)c3)CC2)c1
InChIInChI=1S/C24H32N4O3S/c1-20-6-2-8-22(18-20)27-15-13-26(14-16-27)11-4-10-25-24(29)21-7-3-9-23(19-21)28-12-5-17-32(28,30)31/h2-3,6-9,18-19H,4-5,10-17H2,1H3,(H,25,29)
InChIKeyJJYMEVWEBFDZFR-UHFFFAOYSA-N
XLogP2.48
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(methylamino)propyl]benzamide
CID 119433279
N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119408150
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-pyrrol-1-ylbenzamide
CID 46447895
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 51328573
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55760895
3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide
CID 46402933
tert-butyl N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]carbamate
CID 34249305

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide (CID 55624572) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide is Cc1cccc(N2CCN(CCCNC(=O)c3cccc(N4CCCS4(=O)=O)c3)CC2)c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is JJYMEVWEBFDZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-20-6-2-8-22(18-20)27-15-13-26(14-16-27)11-4-10-25-24(29)21-7-3-9-23(19-21)28-12-5-17-32(28,30)31/h2-3,6-9,18-19H,4-5,10-17H2,1H3,(H,25,29).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 456.61 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 55624572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).