2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide

C16H23N3O3S — CID 56797547

IUPAC2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C16H23N3O3S/c1-13-2-4-14(5-3-13)8-11-23(21,22)18-15-6-9-19(10-7-15)12-16(17)20/h2-5,8,11,15,18H,6-7,9-10,12H2,1H3,(H2,17,20)/b11-8+
InChIKeyIBQNVMZJYSXRCN-DHZHZOJOSA-N
MW337.45 g/mol
LogP0.83
Rot. Bonds6

About 2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide

2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide (PubChem CID 56797547) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide
PubChem CID56797547
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C16H23N3O3S/c1-13-2-4-14(5-3-13)8-11-23(21,22)18-15-6-9-19(10-7-15)12-16(17)20/h2-5,8,11,15,18H,6-7,9-10,12H2,1H3,(H2,17,20)/b11-8+
InChIKeyIBQNVMZJYSXRCN-DHZHZOJOSA-N
XLogP0.83
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide
CID 134025652
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 51098486
(E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide
CID 75364443
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide
CID 103597803
2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60707706
N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide
CID 76866069
2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide
CID 83084786
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 51079604
2-[4-[(3,5-dichlorophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 86915412
2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide
CID 81297527
(E)-2-(4-methylphenyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]ethenesulfonamide
CID 117054642
N-cyclohexyl-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide
CID 26534933

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide (CID 56797547) is 2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide is Cc1ccc(/C=C/S(=O)(=O)NC2CCN(CC(N)=O)CC2)cc1.
What is the InChIKey of 2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide?
The InChIKey is IBQNVMZJYSXRCN-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-13-2-4-14(5-3-13)8-11-23(21,22)18-15-6-9-19(10-7-15)12-16(17)20/h2-5,8,11,15,18H,6-7,9-10,12H2,1H3,(H2,17,20)/b11-8+.
What are the key properties of 2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide?
2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide has a molecular weight of 337.45 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 56797547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).