N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide

C22H24N4O2S — CID 9135294

IUPACN-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCCC[C@@H]2c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H24N4O2S/c1-15(27)23-16-9-11-17(12-10-16)24-21(28)14-26-13-5-4-7-19(26)22-25-18-6-2-3-8-20(18)29-22/h2-3,6,8-12,19H,4-5,7,13-14H2,1H3,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyBFTKSQOPXNXBSG-LJQANCHMSA-N
MW408.53 g/mol
LogP4.42
Rot. Bonds5

About N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide

N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 9135294) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide
PubChem CID9135294
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCCC[C@@H]2c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H24N4O2S/c1-15(27)23-16-9-11-17(12-10-16)24-21(28)14-26-13-5-4-7-19(26)22-25-18-6-2-3-8-20(18)29-22/h2-3,6,8-12,19H,4-5,7,13-14H2,1H3,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyBFTKSQOPXNXBSG-LJQANCHMSA-N
XLogP4.42
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 9134972
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 9135297
methyl 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzoate
CID 9033552
4-[[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 9033514
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 4824723
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 9033786
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 40939911
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 9135223
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9135477
2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 9033622
2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 9135558
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methylpropyl)acetamide
CID 9135401

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide (CID 9135294) is N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide is CC(=O)Nc1ccc(NC(=O)CN2CCCC[C@@H]2c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is BFTKSQOPXNXBSG-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-15(27)23-16-9-11-17(12-10-16)24-21(28)14-26-13-5-4-7-19(26)22-25-18-6-2-3-8-20(18)29-22/h2-3,6,8-12,19H,4-5,7,13-14H2,1H3,(H,23,27)(H,24,28)/t19-/m1/s1.
What are the key properties of N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide?
N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 408.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 9135294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).