3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

C21H23N3O4S — CID 7927430

IUPAC3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C21H23N3O4S/c1-2-28-20-10-9-18(29(26,27)24-11-4-3-5-12-24)14-19(20)23-21(25)17-8-6-7-16(13-17)15-22/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,25)
InChIKeyKKDQERUHSXDLRH-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.38
Rot. Bonds6

About 3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 7927430) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID7927430
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C21H23N3O4S/c1-2-28-20-10-9-18(29(26,27)24-11-4-3-5-12-24)14-19(20)23-21(25)17-8-6-7-16(13-17)15-22/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,25)
InChIKeyKKDQERUHSXDLRH-UHFFFAOYSA-N
XLogP3.38
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 7936853
3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
CID 29457912
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
3-(dimethylsulfamoyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849961
3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 40602464
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
3-cyano-N-(2,5-diethoxyphenyl)benzamide
CID 29455083
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 30748290
2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55628464
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 7927430) is 3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is KKDQERUHSXDLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-2-28-20-10-9-18(29(26,27)24-11-4-3-5-12-24)14-19(20)23-21(25)17-8-6-7-16(13-17)15-22/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,25).
What are the key properties of 3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 413.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 7927430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).