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

C13H15N5O3S — CID 16508141

IUPACN-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H15N5O3S/c19-12(14-11-6-7-22(20,21)9-11)8-18-16-13(15-17-18)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,19)
InChIKeyMPQBQZIGWLZGBQ-UHFFFAOYSA-N
MW321.36 g/mol
LogP-0.36
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 16508141) has the molecular formula C13H15N5O3S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID16508141
Molecular FormulaC13H15N5O3S
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H15N5O3S/c19-12(14-11-6-7-22(20,21)9-11)8-18-16-13(15-17-18)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,19)
InChIKeyMPQBQZIGWLZGBQ-UHFFFAOYSA-N
XLogP-0.36
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 6491357
N-Phenethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 859216
N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 862074
N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 24816589
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4852961
N-butan-2-yl-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 24687270
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 24981269
2-(5-Phenyl-tetrazol-2-yl)-N-thiophen-2-ylmethyl-acetamide
CID 646677
N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 24687303
N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 715385
4-[2-[2-[Cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzamide
CID 16326162
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-ethylphenyl)tetrazol-2-yl]acetamide
CID 16326282

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 16508141) is N-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is MPQBQZIGWLZGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3S/c19-12(14-11-6-7-22(20,21)9-11)8-18-16-13(15-17-18)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 321.36 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 16508141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).