N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide

C24H21N3O5S — CID 4172683

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H21N3O5S/c28-23(17-8-10-20(11-9-17)33(29,30)27-12-14-31-15-13-27)25-19-5-3-4-18(16-19)24-26-21-6-1-2-7-22(21)32-24/h1-11,16H,12-15H2,(H,25,28)
InChIKeyAYEYYPXKUXXMQK-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.77
Rot. Bonds5

About N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 4172683) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID4172683
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H21N3O5S/c28-23(17-8-10-20(11-9-17)33(29,30)27-12-14-31-15-13-27)25-19-5-3-4-18(16-19)24-26-21-6-1-2-7-22(21)32-24/h1-11,16H,12-15H2,(H,25,28)
InChIKeyAYEYYPXKUXXMQK-UHFFFAOYSA-N
XLogP3.77
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 30823369
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 41148596
2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828482
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfonylbenzamide
CID 7565654
(E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 24599414
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41489399
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide
CID 7579240
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]-2-chlorobenzamide
CID 3968196
N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53075365
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-(dimethylsulfamoyl)benzamide
CID 3290881
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide (CID 4172683) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide is O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AYEYYPXKUXXMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c28-23(17-8-10-20(11-9-17)33(29,30)27-12-14-31-15-13-27)25-19-5-3-4-18(16-19)24-26-21-6-1-2-7-22(21)32-24/h1-11,16H,12-15H2,(H,25,28).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 463.52 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4172683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).