N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C21H25N5O4S — CID 26977901

IUPACN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cn2nnc3ccccc3c2=O)c1
InChIInChI=1S/C21H25N5O4S/c1-5-25(6-2)31(29,30)16-11-14(3)15(4)19(12-16)22-20(27)13-26-21(28)17-9-7-8-10-18(17)23-24-26/h7-12H,5-6,13H2,1-4H3,(H,22,27)
InChIKeyUBCCIGZNRQUPPI-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.08
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 26977901) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID26977901
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cn2nnc3ccccc3c2=O)c1
InChIInChI=1S/C21H25N5O4S/c1-5-25(6-2)31(29,30)16-11-14(3)15(4)19(12-16)22-20(27)13-26-21(28)17-9-7-8-10-18(17)23-24-26/h7-12H,5-6,13H2,1-4H3,(H,22,27)
InChIKeyUBCCIGZNRQUPPI-UHFFFAOYSA-N
XLogP2.08
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 4839034
N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 9354097
3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 24529074
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55379148
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27832679
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]propanamide;hydrochloride
CID 119272848
methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate
CID 2714539
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 26977901) is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cn2nnc3ccccc3c2=O)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is UBCCIGZNRQUPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-5-25(6-2)31(29,30)16-11-14(3)15(4)19(12-16)22-20(27)13-26-21(28)17-9-7-8-10-18(17)23-24-26/h7-12H,5-6,13H2,1-4H3,(H,22,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 443.53 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 26977901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).