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

C18H23N3O5S2 — CID 18574467

IUPACN'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccco1
InChIInChI=1S/C18H23N3O5S2/c22-17(18(23)20-13-15-6-3-11-26-15)19-9-8-14-5-1-2-10-21(14)28(24,25)16-7-4-12-27-16/h3-4,6-7,11-12,14H,1-2,5,8-10,13H2,(H,19,22)(H,20,23)
InChIKeyUKIGZXUIBHKPBF-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.71
Rot. Bonds7

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

N'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide (PubChem CID 18574467) has the molecular formula C18H23N3O5S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
PubChem CID18574467
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC NameN'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccco1
InChIInChI=1S/C18H23N3O5S2/c22-17(18(23)20-13-15-6-3-11-26-15)19-9-8-14-5-1-2-10-21(14)28(24,25)16-7-4-12-27-16/h3-4,6-7,11-12,14H,1-2,5,8-10,13H2,(H,19,22)(H,20,23)
InChIKeyUKIGZXUIBHKPBF-UHFFFAOYSA-N
XLogP1.71
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide?
The IUPAC name of N'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide (CID 18574467) is N'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide is O=C(NCCC1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide?
The InChIKey is UKIGZXUIBHKPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c22-17(18(23)20-13-15-6-3-11-26-15)19-9-8-14-5-1-2-10-21(14)28(24,25)16-7-4-12-27-16/h3-4,6-7,11-12,14H,1-2,5,8-10,13H2,(H,19,22)(H,20,23).
What are the key properties of N'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide?
N'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide has a molecular weight of 425.53 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide is sourced from PubChem (CID 18574467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).