2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone

C25H23N3O5S — CID 110828482

IUPAC2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
SMILESO=C(CNc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H23N3O5S/c29-23(18-7-11-21(12-8-18)34(30,31)28-13-15-32-16-14-28)17-26-20-9-5-19(6-10-20)25-27-22-3-1-2-4-24(22)33-25/h1-12,26H,13-17H2
InChIKeyDFNSYKUBJJGICX-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.81
Rot. Bonds7

About 2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone

2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 110828482) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID110828482
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
SMILESO=C(CNc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H23N3O5S/c29-23(18-7-11-21(12-8-18)34(30,31)28-13-15-32-16-14-28)17-26-20-9-5-19(6-10-20)25-27-22-3-1-2-4-24(22)33-25/h1-12,26H,13-17H2
InChIKeyDFNSYKUBJJGICX-UHFFFAOYSA-N
XLogP3.81
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 24599414
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 4172683
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
CID 110828401
2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110827793
2-(4-morpholin-4-ylsulfonylanilino)-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828945
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41489399
1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone
CID 110830447
1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone
CID 110828616
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
2-[4-(azepan-1-ylsulfonyl)anilino]-1-(1-benzofuran-2-yl)ethanone
CID 110828562
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828479
2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824126

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone (CID 110828482) is 2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone is O=C(CNc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is DFNSYKUBJJGICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c29-23(18-7-11-21(12-8-18)34(30,31)28-13-15-32-16-14-28)17-26-20-9-5-19(6-10-20)25-27-22-3-1-2-4-24(22)33-25/h1-12,26H,13-17H2.
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 477.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110828482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).