2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide

C20H23ClN2O4S — CID 42065157

IUPAC2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-27-19-11-10-15(13-18(19)21)22-20(24)14-16-7-5-6-12-23(16)28(25,26)17-8-3-2-4-9-17/h2-4,8-11,13,16H,5-7,12,14H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyWEQYJPFTPZTNTH-MRXNPFEDSA-N
MW422.93 g/mol
LogP3.92
Rot. Bonds6

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

2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 42065157) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID42065157
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-27-19-11-10-15(13-18(19)21)22-20(24)14-16-7-5-6-12-23(16)28(25,26)17-8-3-2-4-9-17/h2-4,8-11,13,16H,5-7,12,14H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyWEQYJPFTPZTNTH-MRXNPFEDSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562158
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 42065132
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
CID 2648526
N-(3,4-dimethoxyphenyl)-2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26842465
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42065079
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 42065088
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 42065064
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 46482849
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110859529
N-(3-chloro-4-methylphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562219
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 16826819
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-phenylacetamide
CID 26562308

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide (CID 42065157) is 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is WEQYJPFTPZTNTH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-27-19-11-10-15(13-18(19)21)22-20(24)14-16-7-5-6-12-23(16)28(25,26)17-8-3-2-4-9-17/h2-4,8-11,13,16H,5-7,12,14H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide?
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 422.93 g/mol, XLogP of 3.92, 6 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-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 42065157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).