N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide

C17H17N3O6S — CID 16615850

IUPACN-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H17N3O6S/c1-10(21)18-11-3-5-15(25-2)14(7-11)20-27(23,24)12-4-6-16-13(8-12)19-17(22)9-26-16/h3-8,20H,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyDBFXARCJTMBHCW-UHFFFAOYSA-N
MW391.41 g/mol
LogP1.79
Rot. Bonds5

About N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide

N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide (PubChem CID 16615850) has the molecular formula C17H17N3O6S and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
PubChem CID16615850
Molecular FormulaC17H17N3O6S
Molecular Weight391.41 g/mol
Exact Mass391.08
IUPAC NameN-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H17N3O6S/c1-10(21)18-11-3-5-15(25-2)14(7-11)20-27(23,24)12-4-6-16-13(8-12)19-17(22)9-26-16/h3-8,20H,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyDBFXARCJTMBHCW-UHFFFAOYSA-N
XLogP1.79
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
1-methyl-3-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]urea
CID 46518720
methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 16615870
N-(3-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548261
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55618967
N-(3,4-dichlorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 31699666
N-(2,5-dimethoxyphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide
CID 20909855
N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 7938360
N-[3-[(4-ethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 4149127
N-[2-methoxy-5-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfamoyl]phenyl]acetamide
CID 8844751
N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide
CID 22582533
N-(2,5-dimethoxyphenyl)-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 50784719

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide (CID 16615850) is N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide is COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide?
The InChIKey is DBFXARCJTMBHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S/c1-10(21)18-11-3-5-15(25-2)14(7-11)20-27(23,24)12-4-6-16-13(8-12)19-17(22)9-26-16/h3-8,20H,9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide?
N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide has a molecular weight of 391.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 16615850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).