N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

C23H25N3O5S2 — CID 55432805

IUPACN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
SMILESCc1cc(CSc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)on1
InChIInChI=1S/C23H25N3O5S2/c1-16-7-8-19(33(28,29)26-9-11-30-12-10-26)14-21(16)24-23(27)20-5-3-4-6-22(20)32-15-18-13-17(2)25-31-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27)
InChIKeyZMNIZNYFNJQIRX-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.86
Rot. Bonds7

About N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55432805) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
PubChem CID55432805
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
SMILESCc1cc(CSc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)on1
InChIInChI=1S/C23H25N3O5S2/c1-16-7-8-19(33(28,29)26-9-11-30-12-10-26)14-21(16)24-23(27)20-5-3-4-6-22(20)32-15-18-13-17(2)25-31-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27)
InChIKeyZMNIZNYFNJQIRX-UHFFFAOYSA-N
XLogP3.86
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-methyl-3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]benzoate
CID 55433637
2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 43038678
N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide
CID 17352591
2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 55380831
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
N-(2-methyl-5-methylsulfonylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 43048434
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-(4-amino-3,5-dichlorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55522562
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(3-methylphenyl)benzamide
CID 51246069
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55329582
propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate
CID 134037145

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide (CID 55432805) is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide is Cc1cc(CSc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)on1.
What is the InChIKey of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is ZMNIZNYFNJQIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-16-7-8-19(33(28,29)26-9-11-30-12-10-26)14-21(16)24-23(27)20-5-3-4-6-22(20)32-15-18-13-17(2)25-31-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27).
What are the key properties of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 487.60 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55432805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).