4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide

C21H26N2O3S — CID 55432816

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide
SMILESCCCCCc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-3-4-6-17-7-11-19(12-8-17)22-21(24)18-9-13-20(14-10-18)23-15-5-16-27(23,25)26/h7-14H,2-6,15-16H2,1H3,(H,22,24)
InChIKeyHQHSPLBDNBTAKD-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.21
Rot. Bonds7

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide (PubChem CID 55432816) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide
PubChem CID55432816
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide
SMILESCCCCCc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-3-4-6-17-7-11-19(12-8-17)22-21(24)18-9-13-20(14-10-18)23-15-5-16-27(23,25)26/h7-14H,2-6,15-16H2,1H3,(H,22,24)
InChIKeyHQHSPLBDNBTAKD-UHFFFAOYSA-N
XLogP4.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
4-hexyl-N-[4-(4-pentanoylpiperazin-1-yl)phenyl]benzamide
CID 3666746
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzamide
CID 134055766
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N',N'-dipropylpentanediamide
CID 56552807
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 55454072
2-butyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55686055
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 55433938

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide (CID 55432816) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide is CCCCCc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide?
The InChIKey is HQHSPLBDNBTAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-2-3-4-6-17-7-11-19(12-8-17)22-21(24)18-9-13-20(14-10-18)23-15-5-16-27(23,25)26/h7-14H,2-6,15-16H2,1H3,(H,22,24).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide has a molecular weight of 386.52 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide is sourced from PubChem (CID 55432816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).