N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide

C21H25ClN2O4S — CID 26562158

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-15-6-9-18(10-7-15)29(26,27)24-12-4-3-5-17(24)14-21(25)23-16-8-11-20(28-2)19(22)13-16/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyQVACBASMGXFYRC-QGZVFWFLSA-N
MW436.96 g/mol
LogP4.23
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide (PubChem CID 26562158) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
PubChem CID26562158
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-15-6-9-18(10-7-15)29(26,27)24-12-4-3-5-17(24)14-21(25)23-16-8-11-20(28-2)19(22)13-16/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyQVACBASMGXFYRC-QGZVFWFLSA-N
XLogP4.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 42065157
N-(3-chloro-4-methylphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562219
N-(3,4-dimethoxyphenyl)-2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26842465
methyl 4-[[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetyl]amino]benzoate
CID 26562171
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110859529
N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16836945
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 42065088
N-(3-fluoro-4-methylphenyl)-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16836998
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-(3-chloro-4-fluorophenyl)acetamide
CID 42065132
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110859521

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide (CID 26562158) is N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide is COc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide?
The InChIKey is QVACBASMGXFYRC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-15-6-9-18(10-7-15)29(26,27)24-12-4-3-5-17(24)14-21(25)23-16-8-11-20(28-2)19(22)13-16/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,23,25)/t17-/m1/s1.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide has a molecular weight of 436.96 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide is sourced from PubChem (CID 26562158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).