N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide

C24H27N5O2S — CID 55775744

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C24H27N5O2S/c1-32-24-25-13-16-29(24)21-9-7-18(8-10-21)23(31)27-20-11-14-28(15-12-20)17-22(30)26-19-5-3-2-4-6-19/h2-10,13,16,20H,11-12,14-15,17H2,1H3,(H,26,30)(H,27,31)
InChIKeyQUZWHLSPIZBQGV-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.43
Rot. Bonds7

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 55775744) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID55775744
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C24H27N5O2S/c1-32-24-25-13-16-29(24)21-9-7-18(8-10-21)23(31)27-20-11-14-28(15-12-20)17-22(30)26-19-5-3-2-4-6-19/h2-10,13,16,20H,11-12,14-15,17H2,1H3,(H,26,30)(H,27,31)
InChIKeyQUZWHLSPIZBQGV-UHFFFAOYSA-N
XLogP3.43
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55959686
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55791150
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 25475114
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 16613410
4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 34795547
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 16589746

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide (CID 55775744) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide is CSc1nccn1-c1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is QUZWHLSPIZBQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-32-24-25-13-16-29(24)21-9-7-18(8-10-21)23(31)27-20-11-14-28(15-12-20)17-22(30)26-19-5-3-2-4-6-19/h2-10,13,16,20H,11-12,14-15,17H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 449.58 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 55775744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).