N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide

C21H20N4O3S2 — CID 68835973

IUPACN-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NS(=O)(=O)C1=CC=CN2SNC=C12
InChIInChI=1S/C21H20N4O3S2/c1-24(15-16-8-3-2-4-9-16)21(26)17-10-5-6-11-18(17)23-30(27,28)20-12-7-13-25-19(20)14-22-29-25/h2-14,22-23H,15H2,1H3
InChIKeyBOLBWERJHZNNKI-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.42
Rot. Bonds6

About N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide

N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide (PubChem CID 68835973) has the molecular formula C21H20N4O3S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
PubChem CID68835973
Molecular FormulaC21H20N4O3S2
Molecular Weight440.55 g/mol
Exact Mass440.10
IUPAC NameN-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NS(=O)(=O)C1=CC=CN2SNC=C12
InChIInChI=1S/C21H20N4O3S2/c1-24(15-16-8-3-2-4-9-16)21(26)17-10-5-6-11-18(17)23-30(27,28)20-12-7-13-25-19(20)14-22-29-25/h2-14,22-23H,15H2,1H3
InChIKeyBOLBWERJHZNNKI-UHFFFAOYSA-N
XLogP3.42
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68837551
4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68770338
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68830042
N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2334371
N-[(2-bromophenyl)methyl]-4-chloro-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68834101
4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68774605
4-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)-N-[(2,4,6-trichlorophenyl)methyl]benzamide
CID 68830473
2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 38743723
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 60670598
N-benzyl-2-[(2-methoxyacetyl)amino]-N-methylbenzamide
CID 17311924
N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide
CID 17192300

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide?
The IUPAC name of N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide (CID 68835973) is N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide?
The canonical SMILES for N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide is CN(Cc1ccccc1)C(=O)c1ccccc1NS(=O)(=O)C1=CC=CN2SNC=C12.
What is the InChIKey of N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide?
The InChIKey is BOLBWERJHZNNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S2/c1-24(15-16-8-3-2-4-9-16)21(26)17-10-5-6-11-18(17)23-30(27,28)20-12-7-13-25-19(20)14-22-29-25/h2-14,22-23H,15H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide?
N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide has a molecular weight of 440.55 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide is sourced from PubChem (CID 68835973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).