2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide

C21H26N2O4S — CID 42065088

IUPAC2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-16-11-12-20(27-2)19(14-16)22-21(24)15-17-8-6-7-13-23(17)28(25,26)18-9-4-3-5-10-18/h3-5,9-12,14,17H,6-8,13,15H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyBIQKGJWHOZQNRE-KRWDZBQOSA-N
MW402.52 g/mol
LogP3.58
Rot. Bonds6

About 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 42065088) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID42065088
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-16-11-12-20(27-2)19(14-16)22-21(24)15-17-8-6-7-13-23(17)28(25,26)18-9-4-3-5-10-18/h3-5,9-12,14,17H,6-8,13,15H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyBIQKGJWHOZQNRE-KRWDZBQOSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 42065064
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-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 42065157
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 16826819
N-(2-methoxy-5-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110860294
N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562158
1-(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 2985320
N-(2-methoxyphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574540
N-(3,4-dimethoxyphenyl)-2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26842465
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'-(2-methoxyphenyl)oxamide
CID 41194254

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 42065088) is 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is BIQKGJWHOZQNRE-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-11-12-20(27-2)19(14-16)22-21(24)15-17-8-6-7-13-23(17)28(25,26)18-9-4-3-5-10-18/h3-5,9-12,14,17H,6-8,13,15H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.58, 6 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-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 42065088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).