2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine

C23H27N3O5S3 — CID 23607465

IUPAC2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NCCCN2CCOCC2)cc1
InChIInChI=1S/C23H27N3O5S3/c1-18-8-10-20(11-9-18)33(27,28)22-21(24-12-5-13-26-14-16-31-17-15-26)32-23(25-22)34(29,30)19-6-3-2-4-7-19/h2-4,6-11,24H,5,12-17H2,1H3
InChIKeyVSXFKEBDHLWGLU-UHFFFAOYSA-N
MW521.69 g/mol
LogP3.25
Rot. Bonds9

About 2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine

2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine (PubChem CID 23607465) has the molecular formula C23H27N3O5S3 and a molecular weight of 521.69 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine
PubChem CID23607465
Molecular FormulaC23H27N3O5S3
Molecular Weight521.69 g/mol
Exact Mass521.11
IUPAC Name2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NCCCN2CCOCC2)cc1
InChIInChI=1S/C23H27N3O5S3/c1-18-8-10-20(11-9-18)33(27,28)22-21(24-12-5-13-26-14-16-31-17-15-26)32-23(25-22)34(29,30)19-6-3-2-4-7-19/h2-4,6-11,24H,5,12-17H2,1H3
InChIKeyVSXFKEBDHLWGLU-UHFFFAOYSA-N
XLogP3.25
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.69
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine 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

5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride
CID 45099975
2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine
CID 23607467
2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18826346
4-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)-2-propylsulfonyl-1,3-thiazol-5-amine
CID 20888868
2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18824775
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18825794
4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
CID 3446909
N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
CID 6471959
2-(2-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-oxazol-5-amine
CID 2219677
6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine
CID 3829399
4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-oxazol-5-amine
CID 2332939
4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 1244710

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine (CID 23607465) is 2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NCCCN2CCOCC2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine?
The InChIKey is VSXFKEBDHLWGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S3/c1-18-8-10-20(11-9-18)33(27,28)22-21(24-12-5-13-26-14-16-31-17-15-26)32-23(25-22)34(29,30)19-6-3-2-4-7-19/h2-4,6-11,24H,5,12-17H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine?
2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine has a molecular weight of 521.69 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 23607465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).