2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide

C15H19N5O2S — CID 32581346

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NOCc1ccccc1
InChIInChI=1S/C15H19N5O2S/c21-14(17-22-10-12-6-2-1-3-7-12)11-23-15-16-18-19-20(15)13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2,(H,17,21)
InChIKeyYNOYXACBRXNISF-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.13
Rot. Bonds7

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide (PubChem CID 32581346) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide
PubChem CID32581346
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NOCc1ccccc1
InChIInChI=1S/C15H19N5O2S/c21-14(17-22-10-12-6-2-1-3-7-12)11-23-15-16-18-19-20(15)13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2,(H,17,21)
InChIKeyYNOYXACBRXNISF-UHFFFAOYSA-N
XLogP2.13
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]oxyacetamide
CID 112550936
methyl (2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-phenylpropanoate
CID 25437754
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098953
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 55541677
N-(1-benzylpiperidin-4-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 9204401
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 3228988
N-(2-tert-butylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 37285708
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 51258532
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 17413002
methyl 4-[[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoate
CID 27094020

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide (CID 32581346) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide is O=C(CSc1nnnn1C1CCCC1)NOCc1ccccc1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide?
The InChIKey is YNOYXACBRXNISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c21-14(17-22-10-12-6-2-1-3-7-12)11-23-15-16-18-19-20(15)13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2,(H,17,21).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide has a molecular weight of 333.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide is sourced from PubChem (CID 32581346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).