N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C19H23N3O3S — CID 119422310

IUPACN-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccccc3N)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-8-10-16(11-9-14)26(24,25)22-12-4-5-15(13-22)19(23)21-18-7-3-2-6-17(18)20/h2-3,6-11,15H,4-5,12-13,20H2,1H3,(H,21,23)
InChIKeyKCXSXXZZRYHFIV-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.62
Rot. Bonds4

About N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 119422310) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID119422310
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccccc3N)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-8-10-16(11-9-14)26(24,25)22-12-4-5-15(13-22)19(23)21-18-7-3-2-6-17(18)20/h2-3,6-11,15H,4-5,12-13,20H2,1H3,(H,21,23)
InChIKeyKCXSXXZZRYHFIV-UHFFFAOYSA-N
XLogP2.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide 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

(3S)-N-(2-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156119
(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 1078452
(3R)-N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1075960
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156380
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 41302252
(3S)-1-(4-bromophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 41302253
(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815
1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 16863432
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
(3S)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073677
(3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide
CID 1455613

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 119422310) is N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccccc3N)C2)cc1.
What is the InChIKey of N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is KCXSXXZZRYHFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-8-10-16(11-9-14)26(24,25)22-12-4-5-15(13-22)19(23)21-18-7-3-2-6-17(18)20/h2-3,6-11,15H,4-5,12-13,20H2,1H3,(H,21,23).
What are the key properties of N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 119422310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).