1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide

C24H30N4O7S2 — CID 3192924

IUPAC1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C24H30N4O7S2/c1-18-2-6-21(7-3-18)36(31,32)27-12-10-20(11-13-27)24(30)26-25-23(29)19-4-8-22(9-5-19)37(33,34)28-14-16-35-17-15-28/h2-9,20H,10-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyVVHREYRRFNNBCE-UHFFFAOYSA-N
MW550.66 g/mol
LogP0.88
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide

1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide (PubChem CID 3192924) has the molecular formula C24H30N4O7S2 and a molecular weight of 550.66 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
PubChem CID3192924
Molecular FormulaC24H30N4O7S2
Molecular Weight550.66 g/mol
Exact Mass550.16
IUPAC Name1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C24H30N4O7S2/c1-18-2-6-21(7-3-18)36(31,32)27-12-10-20(11-13-27)24(30)26-25-23(29)19-4-8-22(9-5-19)37(33,34)28-14-16-35-17-15-28/h2-9,20H,10-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyVVHREYRRFNNBCE-UHFFFAOYSA-N
XLogP0.88
TPSA142.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.66
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide 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

CID 1158041
CID 1158041
CID 2358276
CID 2358276
CID 2439280
CID 2439280
CID 2445760
CID 2445760
CID 4877378
CID 4877378
CID 877246
CID 877246
CID 1140002
CID 1140002
CID 1472585
CID 1472585
CID 1506392
CID 1506392
CID 3169069
CID 3169069
CID 134139299
CID 134139299
CID 2086052
CID 2086052

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide (CID 3192924) is 1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide?
The InChIKey is VVHREYRRFNNBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O7S2/c1-18-2-6-21(7-3-18)36(31,32)27-12-10-20(11-13-27)24(30)26-25-23(29)19-4-8-22(9-5-19)37(33,34)28-14-16-35-17-15-28/h2-9,20H,10-17H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide?
1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide has a molecular weight of 550.66 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 3192924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).