N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C19H22N6O4S — CID 3190212

IUPACN-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)Cn1nnc(-c2cccs2)n1)NCC1CCCO1
InChIInChI=1S/C19H22N6O4S/c26-17(20-10-14-4-1-7-28-14)12-24(11-15-5-2-8-29-15)18(27)13-25-22-19(21-23-25)16-6-3-9-30-16/h2-3,5-6,8-9,14H,1,4,7,10-13H2,(H,20,26)
InChIKeyNEKWVWSYPUVESG-UHFFFAOYSA-N
MW430.49 g/mol
LogP1.32
Rot. Bonds9

About N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 3190212) has the molecular formula C19H22N6O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID3190212
Molecular FormulaC19H22N6O4S
Molecular Weight430.49 g/mol
Exact Mass430.14
IUPAC NameN-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)Cn1nnc(-c2cccs2)n1)NCC1CCCO1
InChIInChI=1S/C19H22N6O4S/c26-17(20-10-14-4-1-7-28-14)12-24(11-15-5-2-8-29-15)18(27)13-25-22-19(21-23-25)16-6-3-9-30-16/h2-3,5-6,8-9,14H,1,4,7,10-13H2,(H,20,26)
InChIKeyNEKWVWSYPUVESG-UHFFFAOYSA-N
XLogP1.32
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 3190212) is N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is O=C(CN(Cc1ccco1)C(=O)Cn1nnc(-c2cccs2)n1)NCC1CCCO1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is NEKWVWSYPUVESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4S/c26-17(20-10-14-4-1-7-28-14)12-24(11-15-5-2-8-29-15)18(27)13-25-22-19(21-23-25)16-6-3-9-30-16/h2-3,5-6,8-9,14H,1,4,7,10-13H2,(H,20,26).
What are the key properties of N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 430.49 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 3190212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).