N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C22H24N4O2S — CID 56505681

IUPACN-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NCCNc1nc2ccccc2s1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C22H24N4O2S/c27-19-12-6-7-15-26(19)20(16-8-2-1-3-9-16)21(28)23-13-14-24-22-25-17-10-4-5-11-18(17)29-22/h1-5,8-11,20H,6-7,12-15H2,(H,23,28)(H,24,25)
InChIKeyQVNFLBXZYZOIIQ-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56505681) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56505681
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NCCNc1nc2ccccc2s1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C22H24N4O2S/c27-19-12-6-7-15-26(19)20(16-8-2-1-3-9-16)21(28)23-13-14-24-22-25-17-10-4-5-11-18(17)29-22/h1-5,8-11,20H,6-7,12-15H2,(H,23,28)(H,24,25)
InChIKeyQVNFLBXZYZOIIQ-UHFFFAOYSA-N
XLogP3.58
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119406812
N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111461259
(2S)-N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-ethoxypropanamide
CID 94809192
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514621
2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 112683781
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3,3-dimethylbutanamide
CID 47165966
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(methylamino)acetamide
CID 120703645
N-(4-methyl-4-phenylpentan-2-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56504942
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 56505315
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56574911

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56505681) is N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is O=C(NCCNc1nc2ccccc2s1)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is QVNFLBXZYZOIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c27-19-12-6-7-15-26(19)20(16-8-2-1-3-9-16)21(28)23-13-14-24-22-25-17-10-4-5-11-18(17)29-22/h1-5,8-11,20H,6-7,12-15H2,(H,23,28)(H,24,25).
What are the key properties of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 408.53 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56505681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).