2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one

C22H30N4O3S2 — CID 23737166

IUPAC2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(S(=O)(=O)n2cccc2C2SCC(=O)N2CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C22H30N4O3S2/c1-18-6-8-19(9-7-18)31(28,29)26-12-3-5-20(26)22-25(21(27)17-30-22)11-4-10-24-15-13-23(2)14-16-24/h3,5-9,12,22H,4,10-11,13-17H2,1-2H3
InChIKeyPEKULMNLIHZRGG-UHFFFAOYSA-N
MW462.64 g/mol
LogP2.25
Rot. Bonds7

About 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one

2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one (PubChem CID 23737166) has the molecular formula C22H30N4O3S2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one
PubChem CID23737166
Molecular FormulaC22H30N4O3S2
Molecular Weight462.64 g/mol
Exact Mass462.18
IUPAC Name2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(S(=O)(=O)n2cccc2C2SCC(=O)N2CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C22H30N4O3S2/c1-18-6-8-19(9-7-18)31(28,29)26-12-3-5-20(26)22-25(21(27)17-30-22)11-4-10-24-15-13-23(2)14-16-24/h3,5-9,12,22H,4,10-11,13-17H2,1-2H3
InChIKeyPEKULMNLIHZRGG-UHFFFAOYSA-N
XLogP2.25
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(4-methylpiperazin-1-yl)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 3130973
3-[3-(4-methylpiperazin-1-yl)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 23763714
2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3864235
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
(2S)-3-[3-[(2S)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]propyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 10093008
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
2-(3-ethenyl-5-phenyloxolan-2-yl)-1-(4-methylphenyl)sulfonylpyrrole
CID 70128529
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
3-[3-(dimethylamino)propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 5341962
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8691903

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one (CID 23737166) is 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one is Cc1ccc(S(=O)(=O)n2cccc2C2SCC(=O)N2CCCN2CCN(C)CC2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one?
The InChIKey is PEKULMNLIHZRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S2/c1-18-6-8-19(9-7-18)31(28,29)26-12-3-5-20(26)22-25(21(27)17-30-22)11-4-10-24-15-13-23(2)14-16-24/h3,5-9,12,22H,4,10-11,13-17H2,1-2H3.
What are the key properties of 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one?
2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one has a molecular weight of 462.64 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 23737166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).