N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide

C24H30N2O5S — CID 55464674

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c1
InChIInChI=1S/C24H30N2O5S/c1-16-7-9-18(3)20(13-16)31-15-22(27)25-26-23(28)24(11-5-6-12-24)32(29,30)21-14-17(2)8-10-19(21)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyLHIYEUFVDHUNCV-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.23
Rot. Bonds6

About N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide (PubChem CID 55464674) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide
PubChem CID55464674
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c1
InChIInChI=1S/C24H30N2O5S/c1-16-7-9-18(3)20(13-16)31-15-22(27)25-26-23(28)24(11-5-6-12-24)32(29,30)21-14-17(2)8-10-19(21)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyLHIYEUFVDHUNCV-UHFFFAOYSA-N
XLogP3.23
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-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

1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 46586522
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide
CID 55333177
N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119382972
N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide
CID 78828621
1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
CID 120651689
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N-(5-chloro-2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 46807966
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 51114730
N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24673698
N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565332
1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 55961278

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide (CID 55464674) is N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide?
The InChIKey is LHIYEUFVDHUNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-16-7-9-18(3)20(13-16)31-15-22(27)25-26-23(28)24(11-5-6-12-24)32(29,30)21-14-17(2)8-10-19(21)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide has a molecular weight of 458.58 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide is sourced from PubChem (CID 55464674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).