4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide

C21H26N2O3S — CID 109060714

IUPAC4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2ccc(S(=O)(=O)NC(C)c3ccccc3)cc2)C1
InChIInChI=1S/C21H26N2O3S/c1-16-7-6-14-23(15-16)21(24)19-10-12-20(13-11-19)27(25,26)22-17(2)18-8-4-3-5-9-18/h3-5,8-13,16-17,22H,6-7,14-15H2,1-2H3
InChIKeyFOPKVYNBEUVNDC-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.60
Rot. Bonds5

About 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide

4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 109060714) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
PubChem CID109060714
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2ccc(S(=O)(=O)NC(C)c3ccccc3)cc2)C1
InChIInChI=1S/C21H26N2O3S/c1-16-7-6-14-23(15-16)21(24)19-10-12-20(13-11-19)27(25,26)22-17(2)18-8-4-3-5-9-18/h3-5,8-13,16-17,22H,6-7,14-15H2,1-2H3
InChIKeyFOPKVYNBEUVNDC-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide 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-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059411
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzamide
CID 109047024
N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18105340
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
N-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7369582
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 66260464
5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109105362
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109086112
4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 41309315

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide (CID 109060714) is 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide is CC1CCCN(C(=O)c2ccc(S(=O)(=O)NC(C)c3ccccc3)cc2)C1.
What is the InChIKey of 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is FOPKVYNBEUVNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-7-6-14-23(15-16)21(24)19-10-12-20(13-11-19)27(25,26)22-17(2)18-8-4-3-5-9-18/h3-5,8-13,16-17,22H,6-7,14-15H2,1-2H3.
What are the key properties of 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide?
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 109060714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).