N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide

C20H25N3O4S — CID 78828621

IUPACN'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)NNC(=O)c3cccn3C)CCCC2)c1
InChIInChI=1S/C20H25N3O4S/c1-14-8-9-15(2)17(13-14)28(26,27)20(10-4-5-11-20)19(25)22-21-18(24)16-7-6-12-23(16)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyGNXYKYLPADMQRD-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.19
Rot. Bonds4

About N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide

N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 78828621) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID78828621
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)NNC(=O)c3cccn3C)CCCC2)c1
InChIInChI=1S/C20H25N3O4S/c1-14-8-9-15(2)17(13-14)28(26,27)20(10-4-5-11-20)19(25)22-21-18(24)16-7-6-12-23(16)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyGNXYKYLPADMQRD-UHFFFAOYSA-N
XLogP2.19
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide (CID 78828621) is N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide is Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NNC(=O)c3cccn3C)CCCC2)c1.
What is the InChIKey of N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is GNXYKYLPADMQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14-8-9-15(2)17(13-14)28(26,27)20(10-4-5-11-20)19(25)22-21-18(24)16-7-6-12-23(16)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide?
N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 403.50 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 78828621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).