N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide

C19H19Cl2N5OS — CID 17149004

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)Nc1cccc2nsnc12
InChIInChI=1S/C19H19Cl2N5OS/c20-14-3-1-4-15(21)13(14)11-25-7-9-26(10-8-25)12-18(27)22-16-5-2-6-17-19(16)24-28-23-17/h1-6H,7-12H2,(H,22,27)
InChIKeyRPGHCEPLLUJNAZ-UHFFFAOYSA-N
MW436.37 g/mol
LogP3.75
Rot. Bonds5

About N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 17149004) has the molecular formula C19H19Cl2N5OS and a molecular weight of 436.37 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID17149004
Molecular FormulaC19H19Cl2N5OS
Molecular Weight436.37 g/mol
Exact Mass435.07
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)Nc1cccc2nsnc12
InChIInChI=1S/C19H19Cl2N5OS/c20-14-3-1-4-15(21)13(14)11-25-7-9-26(10-8-25)12-18(27)22-16-5-2-6-17-19(16)24-28-23-17/h1-6H,7-12H2,(H,22,27)
InChIKeyRPGHCEPLLUJNAZ-UHFFFAOYSA-N
XLogP3.75
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 17148996
2-[4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 46809920
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 42949652
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282246
2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 65249909
methyl 2-[4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 46604969
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801206
N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 4844877
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170643
N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194756
N-(2,3-dichlorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 42918042
N-(2,1,3-benzothiadiazol-4-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684776

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide (CID 17149004) is N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is RPGHCEPLLUJNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5OS/c20-14-3-1-4-15(21)13(14)11-25-7-9-26(10-8-25)12-18(27)22-16-5-2-6-17-19(16)24-28-23-17/h1-6H,7-12H2,(H,22,27).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 436.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 17149004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).