N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide

C14H19N5O3S — CID 715385

IUPACN-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H19N5O3S/c1-14(2,3)15-12(20)9-19-17-13(16-18-19)10-5-7-11(8-6-10)23(4,21)22/h5-8H,9H2,1-4H3,(H,15,20)
InChIKeyUZYRGXYVKQVXIV-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.66
Rot. Bonds4

About N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide

N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide (PubChem CID 715385) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
PubChem CID715385
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H19N5O3S/c1-14(2,3)15-12(20)9-19-17-13(16-18-19)10-5-7-11(8-6-10)23(4,21)22/h5-8H,9H2,1-4H3,(H,15,20)
InChIKeyUZYRGXYVKQVXIV-UHFFFAOYSA-N
XLogP0.66
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide (CID 715385) is N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide is CC(C)(C)NC(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is UZYRGXYVKQVXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-14(2,3)15-12(20)9-19-17-13(16-18-19)10-5-7-11(8-6-10)23(4,21)22/h5-8H,9H2,1-4H3,(H,15,20).
What are the key properties of N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 337.41 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 715385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).