N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

C19H21N3O6S — CID 9474071

IUPACN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H21N3O6S/c1-22(2)29(25,26)17-10-12(8-9-15(17)27-3)20-18(23)11-16-19(24)21-13-6-4-5-7-14(13)28-16/h4-10,16H,11H2,1-3H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyYIFPGYDBMMVFFS-INIZCTEOSA-N
MW419.46 g/mol
LogP1.67
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (PubChem CID 9474071) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
PubChem CID9474071
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H21N3O6S/c1-22(2)29(25,26)17-10-12(8-9-15(17)27-3)20-18(23)11-16-19(24)21-13-6-4-5-7-14(13)28-16/h4-10,16H,11H2,1-3H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyYIFPGYDBMMVFFS-INIZCTEOSA-N
XLogP1.67
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9376437
N-(3,4-dimethoxyphenyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768978
N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9188498
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40642850
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9426452
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
N-(9H-fluoren-3-yl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9378346
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 40505300
N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 8000269
N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 51427064
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
CID 24658780
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106228

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (CID 9474071) is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is COc1ccc(NC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The InChIKey is YIFPGYDBMMVFFS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-22(2)29(25,26)17-10-12(8-9-15(17)27-3)20-18(23)11-16-19(24)21-13-6-4-5-7-14(13)28-16/h4-10,16H,11H2,1-3H3,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide has a molecular weight of 419.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is sourced from PubChem (CID 9474071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).