N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide

C22H28N2O4S — CID 55396039

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H28N2O4S/c1-17-10-11-20(28-2)18(16-17)12-13-23-22(25)19-8-4-5-9-21(19)29(26,27)24-14-6-3-7-15-24/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3,(H,23,25)
InChIKeyRWLBVOAGSYCVPP-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide

N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 55396039) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
PubChem CID55396039
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H28N2O4S/c1-17-10-11-20(28-2)18(16-17)12-13-23-22(25)19-8-4-5-9-21(19)29(26,27)24-14-6-3-7-15-24/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3,(H,23,25)
InChIKeyRWLBVOAGSYCVPP-UHFFFAOYSA-N
XLogP3.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55338519
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide
CID 100768401
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide
CID 31289322
N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33250445
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55417929
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33176179
(3R)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 8547879

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide (CID 55396039) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide is COc1ccc(C)cc1CCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RWLBVOAGSYCVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-10-11-20(28-2)18(16-17)12-13-23-22(25)19-8-4-5-9-21(19)29(26,27)24-14-6-3-7-15-24/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 416.54 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55396039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).