2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide

C21H26N2O5S — CID 9046765

IUPAC2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C21H26N2O5S/c1-15-7-9-19(27-2)17(13-15)21(24)22-18-14-16(8-10-20(18)28-3)29(25,26)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,24)
InChIKeyLPOCGHPGAUDWKA-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.44
Rot. Bonds6

About 2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide

2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide (PubChem CID 9046765) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
PubChem CID9046765
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C21H26N2O5S/c1-15-7-9-19(27-2)17(13-15)21(24)22-18-14-16(8-10-20(18)28-3)29(25,26)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,24)
InChIKeyLPOCGHPGAUDWKA-UHFFFAOYSA-N
XLogP3.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 38020238
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 46972391
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 4781950
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfanylbenzamide
CID 16615167
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 8746944
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide?
The IUPAC name of 2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide (CID 9046765) is 2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide.
What is the SMILES notation for 2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide?
The canonical SMILES for 2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide?
The InChIKey is LPOCGHPGAUDWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-15-7-9-19(27-2)17(13-15)21(24)22-18-14-16(8-10-20(18)28-3)29(25,26)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,24).
What are the key properties of 2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide?
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide has a molecular weight of 418.52 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide is sourced from PubChem (CID 9046765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).