2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide

C17H21N5OS2 — CID 24522799

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C17H21N5OS2/c1-2-11-24-15-10-6-5-9-14(15)18-16(23)12-25-17-19-20-21-22(17)13-7-3-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,23)
InChIKeyGKVLTUXFSLYILF-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.80
Rot. Bonds8

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

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide (PubChem CID 24522799) has the molecular formula C17H21N5OS2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide
PubChem CID24522799
Molecular FormulaC17H21N5OS2
Molecular Weight375.52 g/mol
Exact Mass375.12
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C17H21N5OS2/c1-2-11-24-15-10-6-5-9-14(15)18-16(23)12-25-17-19-20-21-22(17)13-7-3-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,23)
InChIKeyGKVLTUXFSLYILF-UHFFFAOYSA-N
XLogP3.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 37285708
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide
CID 56582628
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 18098914
N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 51244889
2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 86928063
methyl 3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]naphthalene-2-carboxylate
CID 56535103
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 56536012
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 51258532
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide
CID 32581346
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 18098917

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide (CID 24522799) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide is C=CCSc1ccccc1NC(=O)CSc1nnnn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The InChIKey is GKVLTUXFSLYILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS2/c1-2-11-24-15-10-6-5-9-14(15)18-16(23)12-25-17-19-20-21-22(17)13-7-3-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,23).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide has a molecular weight of 375.52 g/mol, XLogP of 3.80, 8 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-(2-prop-2-enylsulfanylphenyl)acetamide is sourced from PubChem (CID 24522799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).