4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide

C19H22N6O5S — CID 24607409

IUPAC4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)cc1
InChIInChI=1S/C19H22N6O5S/c1-23(2)19(27)13-5-7-14(8-6-13)20-18(26)12-30-25-17-11-15(31(28,29)24(3)4)9-10-16(17)21-22-25/h5-11H,12H2,1-4H3,(H,20,26)
InChIKeyDGKKEJUHEWCWIP-UHFFFAOYSA-N
MW446.49 g/mol
LogP0.45
Rot. Bonds7

About 4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide

4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide (PubChem CID 24607409) has the molecular formula C19H22N6O5S and a molecular weight of 446.49 g/mol. Its IUPAC name is 4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide
PubChem CID24607409
Molecular FormulaC19H22N6O5S
Molecular Weight446.49 g/mol
Exact Mass446.14
IUPAC Name4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)cc1
InChIInChI=1S/C19H22N6O5S/c1-23(2)19(27)13-5-7-14(8-6-13)20-18(26)12-30-25-17-11-15(31(28,29)24(3)4)9-10-16(17)21-22-25/h5-11H,12H2,1-4H3,(H,20,26)
InChIKeyDGKKEJUHEWCWIP-UHFFFAOYSA-N
XLogP0.45
TPSA126.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide 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-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 7696381
N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 3403053
N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701498
2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16545352
N-(4-bromo-3-methylphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 2515806
N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide
CID 7696323
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide
CID 24581801
3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 4805334
2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
CID 2108008
4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26054829
N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide
CID 53077664
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide (CID 24607409) is 4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)cc1.
What is the InChIKey of 4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is DGKKEJUHEWCWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O5S/c1-23(2)19(27)13-5-7-14(8-6-13)20-18(26)12-30-25-17-11-15(31(28,29)24(3)4)9-10-16(17)21-22-25/h5-11H,12H2,1-4H3,(H,20,26).
What are the key properties of 4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 446.49 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 24607409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).