N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide

C21H25FN4O3S — CID 126336951

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C21H25FN4O3S/c1-30(28,29)26(20-10-6-5-9-19(20)22)16-21(27)24-23-18-11-13-25(14-12-18)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,24,27)
InChIKeyMVXCNVVYHUXUMW-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.36
Rot. Bonds7

About N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide

N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 126336951) has the molecular formula C21H25FN4O3S and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID126336951
Molecular FormulaC21H25FN4O3S
Molecular Weight432.52 g/mol
Exact Mass432.16
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C21H25FN4O3S/c1-30(28,29)26(20-10-6-5-9-19(20)22)16-21(27)24-23-18-11-13-25(14-12-18)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,24,27)
InChIKeyMVXCNVVYHUXUMW-UHFFFAOYSA-N
XLogP2.36
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.36
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 N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide 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-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126340370
N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
CID 4198414
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 126334954
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(1-benzylpiperidin-4-ylidene)amino]acetamide
CID 126349041
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126355708
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)acetamide
CID 126344496
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126353417
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 3139233
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 3739032
N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 3248322
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide (CID 126336951) is N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1F.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is MVXCNVVYHUXUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3S/c1-30(28,29)26(20-10-6-5-9-19(20)22)16-21(27)24-23-18-11-13-25(14-12-18)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,24,27).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 432.52 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-2-(2-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126336951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).