3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide

C16H21N5OS2 — CID 52546924

IUPAC3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCSc1nnnn1C1CCCC1
InChIInChI=1S/C16H21N5OS2/c1-23-14-9-5-4-8-13(14)17-15(22)10-11-24-16-18-19-20-21(16)12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,17,22)
InChIKeyPEIYIDKDCUEJBL-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.63
Rot. Bonds7

About 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide

3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 52546924) has the molecular formula C16H21N5OS2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide
PubChem CID52546924
Molecular FormulaC16H21N5OS2
Molecular Weight363.51 g/mol
Exact Mass363.12
IUPAC Name3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCSc1nnnn1C1CCCC1
InChIInChI=1S/C16H21N5OS2/c1-23-14-9-5-4-8-13(14)17-15(22)10-11-24-16-18-19-20-21(16)12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,17,22)
InChIKeyPEIYIDKDCUEJBL-UHFFFAOYSA-N
XLogP3.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide (CID 52546924) is 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)CCSc1nnnn1C1CCCC1.
What is the InChIKey of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is PEIYIDKDCUEJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS2/c1-23-14-9-5-4-8-13(14)17-15(22)10-11-24-16-18-19-20-21(16)12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,17,22).
What are the key properties of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide?
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 363.51 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 52546924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).