N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide

C19H27N3O4S — CID 8689395

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C19H27N3O4S/c23-19(20-15-18-7-4-13-26-18)16-21-9-11-22(12-10-21)27(24,25)14-8-17-5-2-1-3-6-17/h1-3,5-6,8,14,18H,4,7,9-13,15-16H2,(H,20,23)/b14-8+/t18-/m1/s1
InChIKeyIVMDDHHLFSVGSU-ODHXBGJQSA-N
MW393.51 g/mol
LogP0.90
Rot. Bonds7

About N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide

N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 8689395) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID8689395
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C19H27N3O4S/c23-19(20-15-18-7-4-13-26-18)16-21-9-11-22(12-10-21)27(24,25)14-8-17-5-2-1-3-6-17/h1-3,5-6,8,14,18H,4,7,9-13,15-16H2,(H,20,23)/b14-8+/t18-/m1/s1
InChIKeyIVMDDHHLFSVGSU-ODHXBGJQSA-N
XLogP0.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8694091
3-oxo-N-(oxolan-2-ylmethyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108943657
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124756613
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8819159
N-(3,5-dimethylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 2655992
2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 162628228
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 2336227
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 18168423
N-(2,5-difluorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 6214863
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
2-(4-formylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 62655740

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide (CID 8689395) is N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NC[C@H]1CCCO1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is IVMDDHHLFSVGSU-ODHXBGJQSA-N. The full InChI is InChI=1S/C19H27N3O4S/c23-19(20-15-18-7-4-13-26-18)16-21-9-11-22(12-10-21)27(24,25)14-8-17-5-2-1-3-6-17/h1-3,5-6,8,14,18H,4,7,9-13,15-16H2,(H,20,23)/b14-8+/t18-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 393.51 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8689395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).