N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C25H33N3O6S2 — CID 4849595

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C25H33N3O6S2/c1-19-9-10-20(17-24(19)36(32,33)28-15-7-4-8-16-28)25(29)26-22-18-21(11-12-23(22)34-2)35(30,31)27-13-5-3-6-14-27/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,26,29)
InChIKeyVZGSQEGFNFEZGT-UHFFFAOYSA-N
MW535.69 g/mol
LogP3.61
Rot. Bonds7

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 4849595) has the molecular formula C25H33N3O6S2 and a molecular weight of 535.69 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID4849595
Molecular FormulaC25H33N3O6S2
Molecular Weight535.69 g/mol
Exact Mass535.18
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C25H33N3O6S2/c1-19-9-10-20(17-24(19)36(32,33)28-15-7-4-8-16-28)25(29)26-22-18-21(11-12-23(22)34-2)35(30,31)27-13-5-3-6-14-27/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,26,29)
InChIKeyVZGSQEGFNFEZGT-UHFFFAOYSA-N
XLogP3.61
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.69
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2684884
N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059853
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methylbenzamide
CID 43910285
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide
CID 4849587
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 5187446
4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26065662
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4857711

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 4849595) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VZGSQEGFNFEZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O6S2/c1-19-9-10-20(17-24(19)36(32,33)28-15-7-4-8-16-28)25(29)26-22-18-21(11-12-23(22)34-2)35(30,31)27-13-5-3-6-14-27/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,26,29).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 535.69 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4849595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).