N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide

C20H20N4O6S — CID 2158919

IUPACN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1
InChIInChI=1S/C20H20N4O6S/c1-28-17-5-3-2-4-16(17)19-22-23-20(30-19)21-18(25)14-6-8-15(9-7-14)31(26,27)24-10-12-29-13-11-24/h2-9H,10-13H2,1H3,(H,21,23,25)
InChIKeyBLOLSVGNMGAXHA-UHFFFAOYSA-N
MW444.47 g/mol
LogP2.02
Rot. Bonds6

About N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide

N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2158919) has the molecular formula C20H20N4O6S and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2158919
Molecular FormulaC20H20N4O6S
Molecular Weight444.47 g/mol
Exact Mass444.11
IUPAC NameN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1
InChIInChI=1S/C20H20N4O6S/c1-28-17-5-3-2-4-16(17)19-22-23-20(30-19)21-18(25)14-6-8-15(9-7-14)31(26,27)24-10-12-29-13-11-24/h2-9H,10-13H2,1H3,(H,21,23,25)
InChIKeyBLOLSVGNMGAXHA-UHFFFAOYSA-N
XLogP2.02
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2435548
4-(N-methyl-N-((tetrahydrofuran-2-yl)methyl)sulfamoyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 18560915
N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
CID 2158907
4-(dimethylsulfamoyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158911
N-(5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
CID 2158917
4-[ethyl-(phenylmethyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158923
4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158928
N-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
CID 2158935
4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158939
4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158953
4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158957
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 2158975

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 2158919) is N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide is COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is BLOLSVGNMGAXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6S/c1-28-17-5-3-2-4-16(17)19-22-23-20(30-19)21-18(25)14-6-8-15(9-7-14)31(26,27)24-10-12-29-13-11-24/h2-9H,10-13H2,1H3,(H,21,23,25).
What are the key properties of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 444.47 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2158919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).