N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide

C21H26N4O4S — CID 18574290

IUPACN-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C21H26N4O4S/c26-20(21(27)24-16-17-8-4-6-13-22-17)23-14-12-18-9-5-7-15-25(18)30(28,29)19-10-2-1-3-11-19/h1-4,6,8,10-11,13,18H,5,7,9,12,14-16H2,(H,23,26)(H,24,27)
InChIKeyPRRRAJGSDNZYQI-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.45
Rot. Bonds7

About N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide

N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide (PubChem CID 18574290) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide
PubChem CID18574290
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C21H26N4O4S/c26-20(21(27)24-16-17-8-4-6-13-22-17)23-14-12-18-9-5-7-15-25(18)30(28,29)19-10-2-1-3-11-19/h1-4,6,8,10-11,13,18H,5,7,9,12,14-16H2,(H,23,26)(H,24,27)
InChIKeyPRRRAJGSDNZYQI-UHFFFAOYSA-N
XLogP1.45
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.45
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-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide (CID 18574290) is N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide is O=C(NCCC1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccccn1.
What is the InChIKey of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide?
The InChIKey is PRRRAJGSDNZYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c26-20(21(27)24-16-17-8-4-6-13-22-17)23-14-12-18-9-5-7-15-25(18)30(28,29)19-10-2-1-3-11-19/h1-4,6,8,10-11,13,18H,5,7,9,12,14-16H2,(H,23,26)(H,24,27).
What are the key properties of N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide?
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide has a molecular weight of 430.53 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 18574290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).