2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C20H21N3O4S2 — CID 644898

IUPAC2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H21N3O4S2/c24-19(14-23-17-6-2-3-7-18(17)28-20(23)25)21-15-8-10-16(11-9-15)29(26,27)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,24)
InChIKeyDJVDHCPOUXJFCP-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.88
Rot. Bonds5

About 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 644898) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID644898
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H21N3O4S2/c24-19(14-23-17-6-2-3-7-18(17)28-20(23)25)21-15-8-10-16(11-9-15)29(26,27)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,24)
InChIKeyDJVDHCPOUXJFCP-UHFFFAOYSA-N
XLogP2.88
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4966311
2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1007866
N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methyl-N-[2-(methylsulfanyl)phenyl]glycinamide
CID 2202516
N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2526433
6-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-1,3-benzothiazol-2(3H)-one
CID 3243166
N-(2-methylsulfanylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3912824
2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 3966874
2-[4-(4-Fluorobenzenesulfonyl)piperazin-1-YL]-N-(4-sulfamoylphenyl)acetamide
CID 5190289
N-{2-[butyl(methyl)amino]ethyl}-2-[2-oxo-1,3-benzothiazol-3(2H)-yl]acetamide
CID 5307267
3-[2-(4-Ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 5309485
2-Amino-N-{[4-(4-sulfamoyl-phenylsulfamoyl)-phenylcarbamoyl]-methyl}-acetamide
CID 10551138

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 644898) is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is DJVDHCPOUXJFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c24-19(14-23-17-6-2-3-7-18(17)28-20(23)25)21-15-8-10-16(11-9-15)29(26,27)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,24).
What are the key properties of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 431.54 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 644898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).