N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C22H24N4O6S — CID 55530694

IUPACN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(-c2nc(C)no2)cc1
InChIInChI=1S/C22H24N4O6S/c1-3-31-20-9-8-18(33(28,29)26-10-12-30-13-11-26)14-19(20)24-21(27)16-4-6-17(7-5-16)22-23-15(2)25-32-22/h4-9,14H,3,10-13H2,1-2H3,(H,24,27)
InChIKeySZFQCLYRCOUTEK-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.72
Rot. Bonds7

About N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 55530694) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID55530694
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(-c2nc(C)no2)cc1
InChIInChI=1S/C22H24N4O6S/c1-3-31-20-9-8-18(33(28,29)26-10-12-30-13-11-26)14-19(20)24-21(27)16-4-6-17(7-5-16)22-23-15(2)25-32-22/h4-9,14H,3,10-13H2,1-2H3,(H,24,27)
InChIKeySZFQCLYRCOUTEK-UHFFFAOYSA-N
XLogP2.72
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8501995
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 90607660
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55686826
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 7936853
2-(2-ethoxy-5-morpholin-4-ylsulfonylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31690064
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
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
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 55530694) is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(-c2nc(C)no2)cc1.
What is the InChIKey of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is SZFQCLYRCOUTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-3-31-20-9-8-18(33(28,29)26-10-12-30-13-11-26)14-19(20)24-21(27)16-4-6-17(7-5-16)22-23-15(2)25-32-22/h4-9,14H,3,10-13H2,1-2H3,(H,24,27).
What are the key properties of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 472.52 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 55530694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).