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

C17H20F3N5OS — CID 134002877

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C17H20F3N5OS/c1-24(10-12-6-2-5-9-14(12)17(18,19)20)15(26)11-27-16-21-22-23-25(16)13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3
InChIKeyXUKFUTZKWXHRPI-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.56
Rot. Bonds6

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

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 134002877) has the molecular formula C17H20F3N5OS and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID134002877
Molecular FormulaC17H20F3N5OS
Molecular Weight399.44 g/mol
Exact Mass399.13
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C17H20F3N5OS/c1-24(10-12-6-2-5-9-14(12)17(18,19)20)15(26)11-27-16-21-22-23-25(16)13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3
InChIKeyXUKFUTZKWXHRPI-UHFFFAOYSA-N
XLogP3.56
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 43053844
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-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 39681179
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27094394
N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 55910481
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,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 3870642
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
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 27094013

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 134002877) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is CN(Cc1ccccc1C(F)(F)F)C(=O)CSc1nnnn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is XUKFUTZKWXHRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5OS/c1-24(10-12-6-2-5-9-14(12)17(18,19)20)15(26)11-27-16-21-22-23-25(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-(trifluoromethyl)phenyl]methyl]acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 399.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 134002877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).