2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide

C21H26N2O5S — CID 42065064

IUPAC2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O5S/c1-27-17-11-12-20(28-2)19(15-17)22-21(24)14-16-8-6-7-13-23(16)29(25,26)18-9-4-3-5-10-18/h3-5,9-12,15-16H,6-8,13-14H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyGQEMECIZNFQTIV-INIZCTEOSA-N
MW418.52 g/mol
LogP3.28
Rot. Bonds7

About 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide

2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 42065064) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID42065064
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O5S/c1-27-17-11-12-20(28-2)19(15-17)22-21(24)14-16-8-6-7-13-23(16)29(25,26)18-9-4-3-5-10-18/h3-5,9-12,15-16H,6-8,13-14H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyGQEMECIZNFQTIV-INIZCTEOSA-N
XLogP3.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562340
N-(2,5-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826823
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 42065088
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 42065157
N-(3,4-dimethoxyphenyl)-2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26842465
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 16826819
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42065162
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42065163
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 42065113
N-(2-methoxyphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574540
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42065114
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562376

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide (CID 42065064) is 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is GQEMECIZNFQTIV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-27-17-11-12-20(28-2)19(15-17)22-21(24)14-16-8-6-7-13-23(16)29(25,26)18-9-4-3-5-10-18/h3-5,9-12,15-16H,6-8,13-14H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide?
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 418.52 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 42065064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).