N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide

C21H26N2O3S — CID 113004165

IUPACN-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O3S/c1-17-8-6-7-11-20(17)27(25,26)23-14-12-19(13-15-23)21(24)22(2)16-18-9-4-3-5-10-18/h3-11,19H,12-16H2,1-2H3
InChIKeyHYZXVPRMVHRYMB-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.05
Rot. Bonds5

About N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide

N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 113004165) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID113004165
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O3S/c1-17-8-6-7-11-20(17)27(25,26)23-14-12-19(13-15-23)21(24)22(2)16-18-9-4-3-5-10-18/h3-11,19H,12-16H2,1-2H3
InChIKeyHYZXVPRMVHRYMB-UHFFFAOYSA-N
XLogP3.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 113006264
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
N-benzyl-1-(5-bromothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 112760133
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78770763
1-(2-cyanophenyl)sulfonyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 27861422
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 17493112
1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 30278857
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292191

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 113004165) is N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HYZXVPRMVHRYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17-8-6-7-11-20(17)27(25,26)23-14-12-19(13-15-23)21(24)22(2)16-18-9-4-3-5-10-18/h3-11,19H,12-16H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113004165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).