N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide

C22H28N2O4S — CID 26332613

IUPACN-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)N2CCC(CO)(CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O4S/c1-18(26)23-20-8-5-9-21(16-20)29(27,28)24-14-12-22(17-25,13-15-24)11-10-19-6-3-2-4-7-19/h2-9,16,25H,10-15,17H2,1H3,(H,23,26)
InChIKeyLTDFSQPUSMVTGW-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.04
Rot. Bonds7

About N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 26332613) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID26332613
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)N2CCC(CO)(CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O4S/c1-18(26)23-20-8-5-9-21(16-20)29(27,28)24-14-12-22(17-25,13-15-24)11-10-19-6-3-2-4-7-19/h2-9,16,25H,10-15,17H2,1H3,(H,23,26)
InChIKeyLTDFSQPUSMVTGW-UHFFFAOYSA-N
XLogP3.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
3-phenyl-N-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide
CID 2962070
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylpropanoate
CID 7654688
1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 19680416
(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 7926305
2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7377209
N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen
CID 142001104
[1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
CID 137334939
N-[3-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 52938799
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439
3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 112807048
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43924269

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 26332613) is N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1cccc(S(=O)(=O)N2CCC(CO)(CCc3ccccc3)CC2)c1.
What is the InChIKey of N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is LTDFSQPUSMVTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-18(26)23-20-8-5-9-21(16-20)29(27,28)24-14-12-22(17-25,13-15-24)11-10-19-6-3-2-4-7-19/h2-9,16,25H,10-15,17H2,1H3,(H,23,26).
What are the key properties of N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 26332613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).