N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C21H26N2O3S — CID 51147794

IUPACN-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-22(17-19-8-4-2-5-9-19)21(24)16-18-10-12-20(13-11-18)27(25,26)23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-17H2,1H3
InChIKeyZVNMEUYXTAGMDH-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.06
Rot. Bonds6

About N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 51147794) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID51147794
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-22(17-19-8-4-2-5-9-19)21(24)16-18-10-12-20(13-11-18)27(25,26)23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-17H2,1H3
InChIKeyZVNMEUYXTAGMDH-UHFFFAOYSA-N
XLogP3.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 46420855
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CID 43024933
2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824116
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27795278
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
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[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 27894234
N-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-phenylpentanamide
CID 144925781
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8743401
N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 55452056
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27863741
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51180384
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125640

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 51147794) is N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is CN(Cc1ccccc1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is ZVNMEUYXTAGMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-22(17-19-8-4-2-5-9-19)21(24)16-18-10-12-20(13-11-18)27(25,26)23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 51147794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).