2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide

C21H26N2O3S — CID 110355965

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H26N2O3S/c1-16-8-9-20(17(2)14-16)22-21(24)15-18-10-12-23(13-11-18)27(25,26)19-6-4-3-5-7-19/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyBLAYTONZNBQWSG-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.73
Rot. Bonds5

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 110355965) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID110355965
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H26N2O3S/c1-16-8-9-20(17(2)14-16)22-21(24)15-18-10-12-23(13-11-18)27(25,26)19-6-4-3-5-7-19/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyBLAYTONZNBQWSG-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969538
N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110857203
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide
CID 110356021
(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 8714416
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110857208
[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone
CID 34162008
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
N-[(3-methylphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294875
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560006
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 26500148
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
CID 119123184
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide (CID 110355965) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is BLAYTONZNBQWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-8-9-20(17(2)14-16)22-21(24)15-18-10-12-23(13-11-18)27(25,26)19-6-4-3-5-7-19/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 110355965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).