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

C18H19N5O4S — CID 4839034

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C18H19N5O4S/c1-12-8-9-13(28(26,27)22(2)3)10-16(12)19-17(24)11-23-18(25)14-6-4-5-7-15(14)20-21-23/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyOIYBEQQBJMJANH-UHFFFAOYSA-N
MW401.45 g/mol
LogP0.99
Rot. Bonds5

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

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 4839034) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID4839034
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C18H19N5O4S/c1-12-8-9-13(28(26,27)22(2)3)10-16(12)19-17(24)11-23-18(25)14-6-4-5-7-15(14)20-21-23/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyOIYBEQQBJMJANH-UHFFFAOYSA-N
XLogP0.99
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 26977901
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 46571679
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997
3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 24529074
N-(2-methylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 9354097
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 46568161
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(dimethylsulfamoyl)benzoate
CID 2636758
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934566
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 4839034) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is OIYBEQQBJMJANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-12-8-9-13(28(26,27)22(2)3)10-16(12)19-17(24)11-23-18(25)14-6-4-5-7-15(14)20-21-23/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 401.45 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 4839034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).