4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide

C19H18N4O5S — CID 30823369

IUPAC4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nnco2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18N4O5S/c24-18(21-16-3-1-2-15(12-16)19-22-20-13-28-19)14-4-6-17(7-5-14)29(25,26)23-8-10-27-11-9-23/h1-7,12-13H,8-11H2,(H,21,24)
InChIKeyGDOAJEDAIPWFRZ-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.01
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide

4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 30823369) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID30823369
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nnco2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18N4O5S/c24-18(21-16-3-1-2-15(12-16)19-22-20-13-28-19)14-4-6-17(7-5-14)29(25,26)23-8-10-27-11-9-23/h1-7,12-13H,8-11H2,(H,21,24)
InChIKeyGDOAJEDAIPWFRZ-UHFFFAOYSA-N
XLogP2.01
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 32581647
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 4172683
4-(diethylsulfamoyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 30870727
N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53075365
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 41028239
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 2408760

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 30823369) is 4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nnco2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is GDOAJEDAIPWFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c24-18(21-16-3-1-2-15(12-16)19-22-20-13-28-19)14-4-6-17(7-5-14)29(25,26)23-8-10-27-11-9-23/h1-7,12-13H,8-11H2,(H,21,24).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 414.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 30823369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).