2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

C22H28N2O4S — CID 42065113

IUPAC2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H28N2O4S/c1-28-20-10-7-8-18(16-20)13-14-23-22(25)17-19-9-5-6-15-24(19)29(26,27)21-11-3-2-4-12-21/h2-4,7-8,10-12,16,19H,5-6,9,13-15,17H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyDDCIUFDLUIFXOR-LJQANCHMSA-N
MW416.54 g/mol
LogP2.99
Rot. Bonds8

About 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 42065113) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID42065113
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H28N2O4S/c1-28-20-10-7-8-18(16-20)13-14-23-22(25)17-19-9-5-6-15-24(19)29(26,27)21-11-3-2-4-12-21/h2-4,7-8,10-12,16,19H,5-6,9,13-15,17H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyDDCIUFDLUIFXOR-LJQANCHMSA-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-[(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-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42065114
N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 41194156
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 41194152
2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26562300
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-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562457
2-(1-cyclopropylpiperidin-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 110754764
1-(benzenesulfonyl)-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100645726
N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826832

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 42065113) is 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is DDCIUFDLUIFXOR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-28-20-10-7-8-18(16-20)13-14-23-22(25)17-19-9-5-6-15-24(19)29(26,27)21-11-3-2-4-12-21/h2-4,7-8,10-12,16,19H,5-6,9,13-15,17H2,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-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-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 42065113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).