2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C17H20F3N5O2S — CID 43053844

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C17H20F3N5O2S/c1-24(10-12-6-2-5-9-14(12)27-17(18,19)20)15(26)11-28-16-21-22-23-25(16)13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3
InChIKeyGTMSSUJVKYNQPI-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.44
Rot. Bonds7

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 43053844) has the molecular formula C17H20F3N5O2S and a molecular weight of 415.44 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID43053844
Molecular FormulaC17H20F3N5O2S
Molecular Weight415.44 g/mol
Exact Mass415.13
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C17H20F3N5O2S/c1-24(10-12-6-2-5-9-14(12)27-17(18,19)20)15(26)11-28-16-21-22-23-25(16)13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3
InChIKeyGTMSSUJVKYNQPI-UHFFFAOYSA-N
XLogP3.44
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134002877
N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 24521893
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 43053428
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27094394
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 39681179
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 31813598
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 46639205
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 24522843
N-(2-cyclopentylpyrazol-3-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 24665106
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51259319

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 43053844) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)CSc1nnnn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is GTMSSUJVKYNQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2S/c1-24(10-12-6-2-5-9-14(12)27-17(18,19)20)15(26)11-28-16-21-22-23-25(16)13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 415.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 43053844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).