N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide

C22H28N2O4S — CID 7761104

IUPACN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H28N2O4S/c1-4-28-21-9-8-19(29(26,27)24-10-6-5-7-11-24)15-20(21)23-22(25)18-13-16(2)12-17(3)14-18/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,23,25)
InChIKeyIYPCMMNCNGNUFE-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.13
Rot. Bonds6

About N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide (PubChem CID 7761104) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
PubChem CID7761104
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H28N2O4S/c1-4-28-21-9-8-19(29(26,27)24-10-6-5-7-11-24)15-20(21)23-22(25)18-13-16(2)12-17(3)14-18/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,23,25)
InChIKeyIYPCMMNCNGNUFE-UHFFFAOYSA-N
XLogP4.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
3-(dimethylsulfamoyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849961
3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7927430
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 30748290
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 33178495
2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
4-methyl-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 4800649
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide (CID 7761104) is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide?
The InChIKey is IYPCMMNCNGNUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-4-28-21-9-8-19(29(26,27)24-10-6-5-7-11-24)15-20(21)23-22(25)18-13-16(2)12-17(3)14-18/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,23,25).
What are the key properties of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide?
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide has a molecular weight of 416.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 7761104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).