N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide

C21H26N2O3S — CID 113004164

IUPACN-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-17-7-6-10-20(15-17)27(25,26)23-13-11-19(12-14-23)21(24)22(2)16-18-8-4-3-5-9-18/h3-10,15,19H,11-14,16H2,1-2H3
InChIKeySIQPSFRDNDGOJN-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.05
Rot. Bonds5

About N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide

N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 113004164) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID113004164
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-17-7-6-10-20(15-17)27(25,26)23-13-11-19(12-14-23)21(24)22(2)16-18-8-4-3-5-9-18/h3-10,15,19H,11-14,16H2,1-2H3
InChIKeySIQPSFRDNDGOJN-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-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004165
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709
1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26594400
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
1-(3,4-dimethoxyphenyl)sulfonyl-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 30856966
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N-benzyl-1-(5-bromothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 112760133
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
1-(3,4-dimethylphenyl)sulfonyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 26619213

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 113004164) is N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SIQPSFRDNDGOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17-7-6-10-20(15-17)27(25,26)23-13-11-19(12-14-23)21(24)22(2)16-18-8-4-3-5-9-18/h3-10,15,19H,11-14,16H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-benzyl-N-methyl-1-(3-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-(3-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113004164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).