3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide

C16H25N3O3S — CID 51083667

IUPAC3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1ccccc1CCNC(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C16H25N3O3S/c1-13-6-3-4-7-14(13)9-10-17-16(20)19-11-5-8-15(12-19)18-23(2,21)22/h3-4,6-7,15,18H,5,8-12H2,1-2H3,(H,17,20)
InChIKeyXTEJZQUZJSBUDB-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.26
Rot. Bonds5

About 3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide

3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 51083667) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID51083667
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1ccccc1CCNC(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C16H25N3O3S/c1-13-6-3-4-7-14(13)9-10-17-16(20)19-11-5-8-15(12-19)18-23(2,21)22/h3-4,6-7,15,18H,5,8-12H2,1-2H3,(H,17,20)
InChIKeyXTEJZQUZJSBUDB-UHFFFAOYSA-N
XLogP1.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-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

3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 51083543
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 97350793
N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide
CID 97072958
1-[2-(2-methylphenyl)ethyl]-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47743658
(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79756204
N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348
N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 154838972
ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate
CID 94112463
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(methanesulfonamido)pyrrolidine-1-carboxamide
CID 136526323
ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 38151040
N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 56878402
5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 125152722

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide (CID 51083667) is 3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide is Cc1ccccc1CCNC(=O)N1CCCC(NS(C)(=O)=O)C1.
What is the InChIKey of 3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is XTEJZQUZJSBUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13-6-3-4-7-14(13)9-10-17-16(20)19-11-5-8-15(12-19)18-23(2,21)22/h3-4,6-7,15,18H,5,8-12H2,1-2H3,(H,17,20).
What are the key properties of 3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide?
3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 51083667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).