N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide

C19H20N4O3S2 — CID 1455381

IUPACN-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C19H20N4O3S2/c1-14(24)20-15-6-8-16(9-7-15)28(25,26)23-12-10-22(11-13-23)19-21-17-4-2-3-5-18(17)27-19/h2-9H,10-13H2,1H3,(H,20,24)
InChIKeyXPKDVICEDRPDPW-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.77
Rot. Bonds4

About N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 1455381) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID1455381
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC NameN-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C19H20N4O3S2/c1-14(24)20-15-6-8-16(9-7-15)28(25,26)23-12-10-22(11-13-23)19-21-17-4-2-3-5-18(17)27-19/h2-9H,10-13H2,1H3,(H,20,24)
InChIKeyXPKDVICEDRPDPW-UHFFFAOYSA-N
XLogP2.77
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108783259
[4-(azepan-1-ylsulfonyl)phenyl]-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 23741645
N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604030
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 32678883
1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 34043894
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 32680776
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 32679603
ethyl 3-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]quinoxaline-2-carboxylate
CID 46093646
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 32678854
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 90609323

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 1455381) is N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is XPKDVICEDRPDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-14(24)20-15-6-8-16(9-7-15)28(25,26)23-12-10-22(11-13-23)19-21-17-4-2-3-5-18(17)27-19/h2-9H,10-13H2,1H3,(H,20,24).
What are the key properties of N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 1455381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).