3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide

C20H21N3O5S — CID 7936853

IUPAC3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O5S/c1-2-28-19-7-6-17(29(25,26)23-8-10-27-11-9-23)13-18(19)22-20(24)16-5-3-4-15(12-16)14-21/h3-7,12-13H,2,8-11H2,1H3,(H,22,24)
InChIKeyCFOAUYBZWYSIKI-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.23
Rot. Bonds6

About 3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide

3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 7936853) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID7936853
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O5S/c1-2-28-19-7-6-17(29(25,26)23-8-10-27-11-9-23)13-18(19)22-20(24)16-5-3-4-15(12-16)14-21/h3-7,12-13H,2,8-11H2,1H3,(H,22,24)
InChIKeyCFOAUYBZWYSIKI-UHFFFAOYSA-N
XLogP2.23
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7927430
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
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
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3876416
3-(dimethylsulfamoyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849961
3-cyano-N-(2,5-diethoxyphenyl)benzamide
CID 29455083
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
5-chloro-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 39802239
2-(2,6-dichlorophenyl)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4881777

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 7936853) is 3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is CFOAUYBZWYSIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-2-28-19-7-6-17(29(25,26)23-8-10-27-11-9-23)13-18(19)22-20(24)16-5-3-4-15(12-16)14-21/h3-7,12-13H,2,8-11H2,1H3,(H,22,24).
What are the key properties of 3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 415.47 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 7936853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).