2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide

C16H21N5OS — CID 1383745

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NCCc1ccccc1
InChIInChI=1S/C16H21N5OS/c22-15(17-11-10-13-6-2-1-3-7-13)12-23-16-18-19-20-21(16)14-8-4-5-9-14/h1-3,6-7,14H,4-5,8-12H2,(H,17,22)
InChIKeyAUTABXNGDLBREU-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.24
Rot. Bonds7

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 1383745) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID1383745
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NCCc1ccccc1
InChIInChI=1S/C16H21N5OS/c22-15(17-11-10-13-6-2-1-3-7-13)12-23-16-18-19-20-21(16)14-8-4-5-9-14/h1-3,6-7,14H,4-5,8-12H2,(H,17,22)
InChIKeyAUTABXNGDLBREU-UHFFFAOYSA-N
XLogP2.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide (CID 1383745) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide is O=C(CSc1nnnn1C1CCCC1)NCCc1ccccc1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is AUTABXNGDLBREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c22-15(17-11-10-13-6-2-1-3-7-13)12-23-16-18-19-20-21(16)14-8-4-5-9-14/h1-3,6-7,14H,4-5,8-12H2,(H,17,22).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1383745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).