N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide

C21H25ClN2O4S — CID 26562457

IUPACN-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-28-18-9-11-19(12-10-18)29(26,27)24-13-5-4-7-17(24)14-21(25)23-15-16-6-2-3-8-20(16)22/h2-3,6,8-12,17H,4-5,7,13-15H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyJHTYDYNQLTWJHQ-KRWDZBQOSA-N
MW436.96 g/mol
LogP3.60
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide (PubChem CID 26562457) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
PubChem CID26562457
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-28-18-9-11-19(12-10-18)29(26,27)24-13-5-4-7-17(24)14-21(25)23-15-16-6-2-3-8-20(16)22/h2-3,6,8-12,17H,4-5,7,13-15H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyJHTYDYNQLTWJHQ-KRWDZBQOSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826832
2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 26562397
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-(4-methoxyphenyl)ethyl]acetamide
CID 42065162
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42065163
N-cycloheptyl-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826844
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42065114
N'-[(2-chlorophenyl)methyl]-N-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194624
N-(2,5-dimethoxyphenyl)-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562340
methyl 4-[[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetyl]amino]benzoate
CID 27443569
N-(2,5-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826823
N-(3,4-dimethoxyphenyl)-2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26842465

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide (CID 26562457) is N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide is COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide?
The InChIKey is JHTYDYNQLTWJHQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-28-18-9-11-19(12-10-18)29(26,27)24-13-5-4-7-17(24)14-21(25)23-15-16-6-2-3-8-20(16)22/h2-3,6,8-12,17H,4-5,7,13-15H2,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide has a molecular weight of 436.96 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide is sourced from PubChem (CID 26562457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).