N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide

C15H19N5O3S — CID 16508150

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccccc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N5O3S/c1-2-19(13-8-9-24(22,23)11-13)14(21)10-20-17-15(16-18-20)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyHNXJGCRUUNEIHK-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.38
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 16508150) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID16508150
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccccc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N5O3S/c1-2-19(13-8-9-24(22,23)11-13)14(21)10-20-17-15(16-18-20)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyHNXJGCRUUNEIHK-UHFFFAOYSA-N
XLogP0.38
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide (CID 16508150) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide is CCN(C(=O)Cn1nnc(-c2ccccc2)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is HNXJGCRUUNEIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-2-19(13-8-9-24(22,23)11-13)14(21)10-20-17-15(16-18-20)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 349.42 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 16508150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).