N-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide

C17H23N3O4S — CID 70875309

IUPACN-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)N/C=C/S(=O)(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H23N3O4S/c1-14(21)19-17(22)18-9-12-25(23,24)20-10-7-16(8-11-20)13-15-5-3-2-4-6-15/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H2,18,19,21,22)/b12-9+
InChIKeyXBQKKECJBHSQLL-FMIVXFBMSA-N
MW365.46 g/mol
LogP1.59
Rot. Bonds5

About N-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide

N-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide (PubChem CID 70875309) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide
PubChem CID70875309
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)N/C=C/S(=O)(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H23N3O4S/c1-14(21)19-17(22)18-9-12-25(23,24)20-10-7-16(8-11-20)13-15-5-3-2-4-6-15/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H2,18,19,21,22)/b12-9+
InChIKeyXBQKKECJBHSQLL-FMIVXFBMSA-N
XLogP1.59
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-benzylpiperidin-1-yl)sulfonylacetate
CID 22052581
(2R)-3-(4-benzylpiperidin-1-yl)sulfonyl-2-methylpropanoic acid
CID 42035725
(2R)-2-benzyl-3-(4-benzylpiperidin-1-yl)sulfonyl-2-methylpropanoic acid
CID 139786968
4-benzyl-1-(chloromethylsulfonyl)piperidine
CID 63666156
4-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide
CID 25326457
1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine
CID 75872723
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
4-[(1-methylsulfonylpiperidin-4-yl)methyl]benzoic acid
CID 90488105
(3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine
CID 39977519
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482
4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide
CID 22750837
(E)-4-(4-benzylpiperidin-1-yl)but-2-enoic acid
CID 62343923

Frequently Asked Questions

What is the IUPAC name of N-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide?
The IUPAC name of N-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide (CID 70875309) is N-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide.
What is the SMILES notation for N-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide?
The canonical SMILES for N-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide is CC(=O)NC(=O)N/C=C/S(=O)(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide?
The InChIKey is XBQKKECJBHSQLL-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-14(21)19-17(22)18-9-12-25(23,24)20-10-7-16(8-11-20)13-15-5-3-2-4-6-15/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H2,18,19,21,22)/b12-9+.
What are the key properties of N-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide?
N-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide has a molecular weight of 365.46 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-2-(4-benzylpiperidin-1-yl)sulfonylethenyl]carbamoyl]acetamide is sourced from PubChem (CID 70875309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).