2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide

C25H23N3O4S — CID 55380831

IUPAC2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C25H23N3O4S/c1-18-10-11-20(33(30,31)28-12-14-32-15-13-28)16-24(18)27-25(29)23-9-5-4-8-22(23)21-7-3-2-6-19(21)17-26/h2-11,16H,12-15H2,1H3,(H,27,29)
InChIKeyDFZFMXUVFBUGCI-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.81
Rot. Bonds5

About 2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide

2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 55380831) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID55380831
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C25H23N3O4S/c1-18-10-11-20(33(30,31)28-12-14-32-15-13-28)16-24(18)27-25(29)23-9-5-4-8-22(23)21-7-3-2-6-19(21)17-26/h2-11,16H,12-15H2,1H3,(H,27,29)
InChIKeyDFZFMXUVFBUGCI-UHFFFAOYSA-N
XLogP3.81
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55329582
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088
methyl 4-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198226
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55765937
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26198212
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55432805
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 43038678
3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide
CID 16545868
2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 34584461

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 55380831) is 2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1-c1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is DFZFMXUVFBUGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-18-10-11-20(33(30,31)28-12-14-32-15-13-28)16-24(18)27-25(29)23-9-5-4-8-22(23)21-7-3-2-6-19(21)17-26/h2-11,16H,12-15H2,1H3,(H,27,29).
What are the key properties of 2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide?
2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 461.54 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 55380831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).