N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide

C20H29N3O4S — CID 18574263

IUPACN-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C20H29N3O4S/c24-19(20(25)22-16-8-4-5-9-16)21-14-13-17-10-6-7-15-23(17)28(26,27)18-11-2-1-3-12-18/h1-3,11-12,16-17H,4-10,13-15H2,(H,21,24)(H,22,25)
InChIKeyVXHOLWYLOLYESD-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.79
Rot. Bonds6

About N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide

N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide (PubChem CID 18574263) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide.

Molecular Properties

Compound NameN-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide
PubChem CID18574263
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C20H29N3O4S/c24-19(20(25)22-16-8-4-5-9-16)21-14-13-17-10-6-7-15-23(17)28(26,27)18-11-2-1-3-12-18/h1-3,11-12,16-17H,4-10,13-15H2,(H,21,24)(H,22,25)
InChIKeyVXHOLWYLOLYESD-UHFFFAOYSA-N
XLogP1.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N~1~-cyclopentyl-N~2~-(phenylsulfonyl)alaninamide
CID 2957593
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
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide
CID 1433329
4-((4-Fluorophenyl)sulfonyl)piperazin-2-one
CID 4320295
4-(Phenylsulfonyl)piperazin-2-one
CID 9397001
N-[1-(2-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2,2-dimethyl-propionamide
CID 652036
N-(9-Benzenesulfonyl-9-aza-bicyclo[3.3.1]non-3-yl)-acetamide
CID 656292
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 799512

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide?
The IUPAC name of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide (CID 18574263) is N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide.
What is the SMILES notation for N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide?
The canonical SMILES for N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide is O=C(NCCC1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide?
The InChIKey is VXHOLWYLOLYESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c24-19(20(25)22-16-8-4-5-9-16)21-14-13-17-10-6-7-15-23(17)28(26,27)18-11-2-1-3-12-18/h1-3,11-12,16-17H,4-10,13-15H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide?
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide has a molecular weight of 407.54 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-cyclopentyloxamide is sourced from PubChem (CID 18574263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).