2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C21H19N5O5S — CID 25495028

IUPAC2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CN1C(=O)CCOc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C21H19N5O5S/c27-19(14-26-17-4-1-2-5-18(17)31-13-10-20(26)28)24-15-6-8-16(9-7-15)32(29,30)25-21-22-11-3-12-23-21/h1-9,11-12H,10,13-14H2,(H,24,27)(H,22,23,25)
InChIKeyZNHBBSVWIOFZCX-UHFFFAOYSA-N
MW453.48 g/mol
LogP2.03
Rot. Bonds6

About 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 25495028) has the molecular formula C21H19N5O5S and a molecular weight of 453.48 g/mol. Its IUPAC name is 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID25495028
Molecular FormulaC21H19N5O5S
Molecular Weight453.48 g/mol
Exact Mass453.11
IUPAC Name2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CN1C(=O)CCOc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C21H19N5O5S/c27-19(14-26-17-4-1-2-5-18(17)31-13-10-20(26)28)24-15-6-8-16(9-7-15)32(29,30)25-21-22-11-3-12-23-21/h1-9,11-12H,10,13-14H2,(H,24,27)(H,22,23,25)
InChIKeyZNHBBSVWIOFZCX-UHFFFAOYSA-N
XLogP2.03
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9257128
propan-2-yl 4-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]benzoate
CID 18200436
N-(3-methylphenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9038995
2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-propan-2-ylacetamide
CID 18107960
N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26898570
N-(2-chlorophenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9032039
2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 18127599
(3S)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 978643
2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 18109160
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 108794988
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 39995775
4-benzyl-3-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,4-benzoxazine-7-carboxamide
CID 139779674

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 25495028) is 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is O=C(CN1C(=O)CCOc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is ZNHBBSVWIOFZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O5S/c27-19(14-26-17-4-1-2-5-18(17)31-13-10-20(26)28)24-15-6-8-16(9-7-15)32(29,30)25-21-22-11-3-12-23-21/h1-9,11-12H,10,13-14H2,(H,24,27)(H,22,23,25).
What are the key properties of 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 453.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 25495028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).