2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide

C16H23N3O4S — CID 2986327

IUPAC2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCC1CCN(C(=O)CNC(=O)CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O4S/c1-13-7-9-19(10-8-13)16(21)12-17-15(20)11-18-24(22,23)14-5-3-2-4-6-14/h2-6,13,18H,7-12H2,1H3,(H,17,20)
InChIKeyXTLRBPZKVUTYLJ-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.34
Rot. Bonds6

About 2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide

2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 2986327) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
PubChem CID2986327
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCC1CCN(C(=O)CNC(=O)CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O4S/c1-13-7-9-19(10-8-13)16(21)12-17-15(20)11-18-24(22,23)14-5-3-2-4-6-14/h2-6,13,18H,7-12H2,1H3,(H,17,20)
InChIKeyXTLRBPZKVUTYLJ-UHFFFAOYSA-N
XLogP0.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2229748
1-[N-(phenylsulfonyl)glycylglycyl]piperidine
CID 2233338
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2697426
N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
N-[1-(1-azepanylcarbonyl)-2-methylpropyl]benzenesulfonamide
CID 6460522
4-Methyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 751041
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide
CID 1433329
4-(Toluene-4-sulfonyl)-piperazine-2,6-dione
CID 726641
4-(4-Fluorophenylsulfonyl)piperazin-2-one
CID 4320295

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide (CID 2986327) is 2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide is CC1CCN(C(=O)CNC(=O)CNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is XTLRBPZKVUTYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-13-7-9-19(10-8-13)16(21)12-17-15(20)11-18-24(22,23)14-5-3-2-4-6-14/h2-6,13,18H,7-12H2,1H3,(H,17,20).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 353.44 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 2986327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).