N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide

C25H28N2O3S — CID 2334371

IUPACN-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)c1C
InChIInChI=1S/C25H28N2O3S/c1-17-15-18(2)20(4)24(19(17)3)31(29,30)26-23-14-10-9-13-22(23)25(28)27(5)16-21-11-7-6-8-12-21/h6-15,26H,16H2,1-5H3
InChIKeyVFWKTSIROKXSRY-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.99
Rot. Bonds6

About N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide

N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide (PubChem CID 2334371) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
PubChem CID2334371
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)c1C
InChIInChI=1S/C25H28N2O3S/c1-17-15-18(2)20(4)24(19(17)3)31(29,30)26-23-14-10-9-13-22(23)25(28)27(5)16-21-11-7-6-8-12-21/h6-15,26H,16H2,1-5H3
InChIKeyVFWKTSIROKXSRY-UHFFFAOYSA-N
XLogP4.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2336942
N-(1-benzylpiperidin-1-ium-4-yl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 7040657
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2373674
N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68835973
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 39869500
2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 38743723
N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154235
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378055
N-benzyl-2-[(2-methoxyacetyl)amino]-N-methylbenzamide
CID 17311924
N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 4937395

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide (CID 2334371) is N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)c1C.
What is the InChIKey of N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide?
The InChIKey is VFWKTSIROKXSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-17-15-18(2)20(4)24(19(17)3)31(29,30)26-23-14-10-9-13-22(23)25(28)27(5)16-21-11-7-6-8-12-21/h6-15,26H,16H2,1-5H3.
What are the key properties of N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide?
N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide has a molecular weight of 436.58 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2334371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).