N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C24H19N3O4S — CID 55991558

IUPACN-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C24H19N3O4S/c28-24(26-22-8-4-7-20(15-22)23-16-25-17-31-23)19-9-11-21(12-10-19)27-32(29,30)14-13-18-5-2-1-3-6-18/h1-17,27H,(H,26,28)/b14-13+
InChIKeyOYYXTOCRESWNSE-BUHFOSPRSA-N
MW445.50 g/mol
LogP5.01
Rot. Bonds7

About N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 55991558) has the molecular formula C24H19N3O4S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID55991558
Molecular FormulaC24H19N3O4S
Molecular Weight445.50 g/mol
Exact Mass445.11
IUPAC NameN-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C24H19N3O4S/c28-24(26-22-8-4-7-20(15-22)23-16-25-17-31-23)19-9-11-21(12-10-19)27-32(29,30)14-13-18-5-2-1-3-6-18/h1-17,27H,(H,26,28)/b14-13+
InChIKeyOYYXTOCRESWNSE-BUHFOSPRSA-N
XLogP5.01
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.50
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27256502
N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 6218294
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(2-phenylethenylsulfonylamino)benzamide
CID 55933313
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 98890248
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55819813
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 47051399
N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9164162
N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 17480120
N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9341925
1-phenyl-3-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]thiourea
CID 24644076
ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
CID 24640952
N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 33033292

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 55991558) is N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is O=C(Nc1cccc(-c2cnco2)c1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is OYYXTOCRESWNSE-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H19N3O4S/c28-24(26-22-8-4-7-20(15-22)23-16-25-17-31-23)19-9-11-21(12-10-19)27-32(29,30)14-13-18-5-2-1-3-6-18/h1-17,27H,(H,26,28)/b14-13+.
What are the key properties of N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 445.50 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-oxazol-5-yl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 55991558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).