2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

C20H24N4O3S — CID 2859324

IUPAC2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCN1CCC(=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H24N4O3S/c1-23-14-12-17(13-15-23)21-22-20(25)16-24(18-8-4-2-5-9-18)28(26,27)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3,(H,22,25)
InChIKeyOGMOVDIPQYIKTR-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.08
Rot. Bonds6

About 2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (PubChem CID 2859324) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
PubChem CID2859324
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCN1CCC(=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H24N4O3S/c1-23-14-12-17(13-15-23)21-22-20(25)16-24(18-8-4-2-5-9-18)28(26,27)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3,(H,22,25)
InChIKeyOGMOVDIPQYIKTR-UHFFFAOYSA-N
XLogP2.08
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide 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 2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (CID 2859324) is 2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is CN1CCC(=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is OGMOVDIPQYIKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-23-14-12-17(13-15-23)21-22-20(25)16-24(18-8-4-2-5-9-18)28(26,27)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3,(H,22,25).
What are the key properties of 2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 400.50 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)anilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 2859324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).