N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C15H19N5O4S — CID 4845834

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCN(C(=O)COc1cccc(-n2cnnn2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N5O4S/c1-2-19(13-6-7-25(22,23)10-13)15(21)9-24-14-5-3-4-12(8-14)20-11-16-17-18-20/h3-5,8,11,13H,2,6-7,9-10H2,1H3
InChIKeyQAZZONLEINYGPU-UHFFFAOYSA-N
MW365.42 g/mol
LogP0.08
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 4845834) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID4845834
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCN(C(=O)COc1cccc(-n2cnnn2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N5O4S/c1-2-19(13-6-7-25(22,23)10-13)15(21)9-24-14-5-3-4-12(8-14)20-11-16-17-18-20/h3-5,8,11,13H,2,6-7,9-10H2,1H3
InChIKeyQAZZONLEINYGPU-UHFFFAOYSA-N
XLogP0.08
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 4845834) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide is CCN(C(=O)COc1cccc(-n2cnnn2)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is QAZZONLEINYGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-2-19(13-6-7-25(22,23)10-13)15(21)9-24-14-5-3-4-12(8-14)20-11-16-17-18-20/h3-5,8,11,13H,2,6-7,9-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 365.42 g/mol, XLogP of 0.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 4845834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).