2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide

C16H21N5O2S — CID 3228980

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nnnn2C2CCCC2)cc1
InChIInChI=1S/C16H21N5O2S/c1-2-23-14-9-7-12(8-10-14)17-15(22)11-24-16-18-19-20-21(16)13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,22)
InChIKeyLRFWOFOGBHVAAM-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.92
Rot. Bonds7

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 3228980) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID3228980
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nnnn2C2CCCC2)cc1
InChIInChI=1S/C16H21N5O2S/c1-2-23-14-9-7-12(8-10-14)17-15(22)11-24-16-18-19-20-21(16)13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,22)
InChIKeyLRFWOFOGBHVAAM-UHFFFAOYSA-N
XLogP2.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 861219
Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
N-(4-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 670664
N-(4-ethoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 677402
N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 707638
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
2-[(4-amino-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 659667
2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 2024579
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 853705

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 3228980) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2nnnn2C2CCCC2)cc1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is LRFWOFOGBHVAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-2-23-14-9-7-12(8-10-14)17-15(22)11-24-16-18-19-20-21(16)13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,22).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.92, 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-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 3228980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).