N'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide

C19H23N3O4S2 — CID 16829767

IUPACN'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H23N3O4S2/c23-18(19(24)21-15-7-2-1-3-8-15)20-12-11-16-9-4-5-13-22(16)28(25,26)17-10-6-14-27-17/h1-3,6-8,10,14,16H,4-5,9,11-13H2,(H,20,23)(H,21,24)
InChIKeyDZVAFRSRXJGHOX-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.44
Rot. Bonds6

About N'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide

N'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide (PubChem CID 16829767) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
PubChem CID16829767
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H23N3O4S2/c23-18(19(24)21-15-7-2-1-3-8-15)20-12-11-16-9-4-5-13-22(16)28(25,26)17-10-6-14-27-17/h1-3,6-8,10,14,16H,4-5,9,11-13H2,(H,20,23)(H,21,24)
InChIKeyDZVAFRSRXJGHOX-UHFFFAOYSA-N
XLogP2.44
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide?
The IUPAC name of N'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide (CID 16829767) is N'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide?
The canonical SMILES for N'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide is O=C(NCCC1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1.
What is the InChIKey of N'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide?
The InChIKey is DZVAFRSRXJGHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c23-18(19(24)21-15-7-2-1-3-8-15)20-12-11-16-9-4-5-13-22(16)28(25,26)17-10-6-14-27-17/h1-3,6-8,10,14,16H,4-5,9,11-13H2,(H,20,23)(H,21,24).
What are the key properties of N'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide?
N'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide has a molecular weight of 421.54 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide is sourced from PubChem (CID 16829767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).