N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C15H15N5OS — CID 859216

IUPACN-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NCCc1ccccc1
InChIInChI=1S/C15H15N5OS/c21-14(16-9-8-12-5-2-1-3-6-12)11-20-18-15(17-19-20)13-7-4-10-22-13/h1-7,10H,8-9,11H2,(H,16,21)
InChIKeyDCNZRLXCCLYMKA-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.76
Rot. Bonds6

About N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 859216) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID859216
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NCCc1ccccc1
InChIInChI=1S/C15H15N5OS/c21-14(16-9-8-12-5-2-1-3-6-12)11-20-18-15(17-19-20)13-7-4-10-22-13/h1-7,10H,8-9,11H2,(H,16,21)
InChIKeyDCNZRLXCCLYMKA-UHFFFAOYSA-N
XLogP1.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 859216) is N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2cccs2)n1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is DCNZRLXCCLYMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-14(16-9-8-12-5-2-1-3-6-12)11-20-18-15(17-19-20)13-7-4-10-22-13/h1-7,10H,8-9,11H2,(H,16,21).
What are the key properties of N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 313.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 859216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).