N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide

C16H23N3O4S — CID 4885523

IUPACN-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide
SMILESCC(=O)NCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H23N3O4S/c1-13(20)17-10-11-18-16(21)15-9-5-6-12-19(15)24(22,23)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyRXBAFRLNQPQURN-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.48
Rot. Bonds6

About N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide

N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide (PubChem CID 4885523) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide
PubChem CID4885523
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide
SMILESCC(=O)NCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H23N3O4S/c1-13(20)17-10-11-18-16(21)15-9-5-6-12-19(15)24(22,23)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyRXBAFRLNQPQURN-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Sja-6017
CID 9885817
N~1~-cyclopentyl-N~2~-(phenylsulfonyl)alaninamide
CID 2957593
(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
N-cyclopentyl-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2985558
N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
N-[1-(1-azepanylcarbonyl)-2-methylpropyl]benzenesulfonamide
CID 6460522
Ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 5309079
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide
CID 1433329
N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214767

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide (CID 4885523) is N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide is CC(=O)NCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide?
The InChIKey is RXBAFRLNQPQURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-13(20)17-10-11-18-16(21)15-9-5-6-12-19(15)24(22,23)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide?
N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide is sourced from PubChem (CID 4885523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).