N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide

C21H25N3O3S — CID 9480115

IUPACN'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
SMILESCN(NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H25N3O3S/c1-23(20-10-6-3-7-11-20)22-21(25)19-12-15-24(16-13-19)28(26,27)17-14-18-8-4-2-5-9-18/h2-11,14,17,19H,12-13,15-16H2,1H3,(H,22,25)/b17-14+
InChIKeyQATOAPFAUWBLSA-SAPNQHFASA-N
MW399.52 g/mol
LogP2.87
Rot. Bonds6

About N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide

N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide (PubChem CID 9480115) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
PubChem CID9480115
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
SMILESCN(NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H25N3O3S/c1-23(20-10-6-3-7-11-20)22-21(25)19-12-15-24(16-13-19)28(26,27)17-14-18-8-4-2-5-9-18/h2-11,14,17,19H,12-13,15-16H2,1H3,(H,22,25)/b17-14+
InChIKeyQATOAPFAUWBLSA-SAPNQHFASA-N
XLogP2.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-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

N-[(2R)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8000435
N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 76859981
1-[(E)-2-phenylethenyl]sulfonyl-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26290697
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 27335639
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 74659700
N-[[2-(hydroxymethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 135337016
N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 55551266
1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 51148743
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8756858
N-[2-(benzylamino)-2-oxoethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 39821898
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122
1-[(E)-2-phenylethenyl]sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 86847677

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide?
The IUPAC name of N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide (CID 9480115) is N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide is CN(NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide?
The InChIKey is QATOAPFAUWBLSA-SAPNQHFASA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-23(20-10-6-3-7-11-20)22-21(25)19-12-15-24(16-13-19)28(26,27)17-14-18-8-4-2-5-9-18/h2-11,14,17,19H,12-13,15-16H2,1H3,(H,22,25)/b17-14+.
What are the key properties of N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide?
N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide has a molecular weight of 399.52 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 9480115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).