2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C22H28N2O4S — CID 42065162

IUPAC2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-28-20-12-10-18(11-13-20)14-15-23-22(25)17-19-7-5-6-16-24(19)29(26,27)21-8-3-2-4-9-21/h2-4,8-13,19H,5-7,14-17H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyXGBFCFZUOXIBST-IBGZPJMESA-N
MW416.54 g/mol
LogP2.99
Rot. Bonds8

About 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 42065162) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID42065162
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-28-20-12-10-18(11-13-20)14-15-23-22(25)17-19-7-5-6-16-24(19)29(26,27)21-8-3-2-4-9-21/h2-4,8-13,19H,5-7,14-17H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyXGBFCFZUOXIBST-IBGZPJMESA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42065163
2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26562300
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 42065113
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42065114
N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826832
N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562457
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 42065064
2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 26562397
N-cycloheptyl-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826844
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide
CID 18574278
N-(2,5-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826823
N-(2,5-dimethoxyphenyl)-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562340

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 42065162) is 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is XGBFCFZUOXIBST-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-28-20-12-10-18(11-13-20)14-15-23-22(25)17-19-7-5-6-16-24(19)29(26,27)21-8-3-2-4-9-21/h2-4,8-13,19H,5-7,14-17H2,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 416.54 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 42065162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).