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

C20H23N5OS — CID 17148996

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccccc1CN1CCN(CC(=O)Nc2cccc3nsnc23)CC1
InChIInChI=1S/C20H23N5OS/c1-15-5-2-3-6-16(15)13-24-9-11-25(12-10-24)14-19(26)21-17-7-4-8-18-20(17)23-27-22-18/h2-8H,9-14H2,1H3,(H,21,26)
InChIKeyZDUOEIKIRFXVQY-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.76
Rot. Bonds5

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

N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 17148996) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID17148996
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccccc1CN1CCN(CC(=O)Nc2cccc3nsnc23)CC1
InChIInChI=1S/C20H23N5OS/c1-15-5-2-3-6-16(15)13-24-9-11-25(12-10-24)14-19(26)21-17-7-4-8-18-20(17)23-27-22-18/h2-8H,9-14H2,1H3,(H,21,26)
InChIKeyZDUOEIKIRFXVQY-UHFFFAOYSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149004
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-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801206
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
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
4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 6465172
N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
CID 72933011
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 6464660
N-(2,5-dichlorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257466

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 17148996) is N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide is Cc1ccccc1CN1CCN(CC(=O)Nc2cccc3nsnc23)CC1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is ZDUOEIKIRFXVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-15-5-2-3-6-16(15)13-24-9-11-25(12-10-24)14-19(26)21-17-7-4-8-18-20(17)23-27-22-18/h2-8H,9-14H2,1H3,(H,21,26).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 381.51 g/mol, XLogP of 2.76, 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-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 17148996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).