N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide

C23H20ClN3O4S — CID 22589367

IUPACN-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide
SMILESCc1ccccc1N1C(=O)N(CC(=O)NCc2ccccc2Cl)c2ccccc2S1(=O)=O
InChIInChI=1S/C23H20ClN3O4S/c1-16-8-2-5-11-19(16)27-23(29)26(20-12-6-7-13-21(20)32(27,30)31)15-22(28)25-14-17-9-3-4-10-18(17)24/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyFNMQUUZAEIGCBD-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.10
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide (PubChem CID 22589367) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide
PubChem CID22589367
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide
SMILESCc1ccccc1N1C(=O)N(CC(=O)NCc2ccccc2Cl)c2ccccc2S1(=O)=O
InChIInChI=1S/C23H20ClN3O4S/c1-16-8-2-5-11-19(16)27-23(29)26(20-12-6-7-13-21(20)32(27,30)31)15-22(28)25-14-17-9-3-4-10-18(17)24/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyFNMQUUZAEIGCBD-UHFFFAOYSA-N
XLogP4.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(1,1,4-trioxo-2,3-dihydro-1λ6,5-benzothiazepin-5-yl)acetamide
CID 20890338
N-benzyl-2-[2-(4-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide
CID 22589408
2-[2-(2,4-dimethylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 16832214
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 22589157
N-[(2,3-dimethoxyphenyl)methyl]-2-[1,1,3-trioxo-2-(4-propan-2-ylphenyl)-1λ6,2,4-benzothiadiazin-4-yl]acetamide
CID 22589407
2-[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 154831423
2-[2-(3-methoxyphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 16832218
4-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methylphenyl)-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one
CID 18592033
N-[(4-methoxyphenyl)methyl]-2-[2-(3-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide
CID 16832216
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
2-[2-(4-methoxyphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(2-methylphenyl)acetamide
CID 22588578
2-[2-(3,4-dimethoxyphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 22589386

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide (CID 22589367) is N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide is Cc1ccccc1N1C(=O)N(CC(=O)NCc2ccccc2Cl)c2ccccc2S1(=O)=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide?
The InChIKey is FNMQUUZAEIGCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c1-16-8-2-5-11-19(16)27-23(29)26(20-12-6-7-13-21(20)32(27,30)31)15-22(28)25-14-17-9-3-4-10-18(17)24/h2-13H,14-15H2,1H3,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide has a molecular weight of 469.95 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide is sourced from PubChem (CID 22589367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).