2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide

C20H21N5O2S — CID 3229011

IUPAC2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C20H21N5O2S/c1-2-27-18-9-4-3-8-17(18)21-19(26)13-28-20-22-23-24-25(20)16-11-10-14-6-5-7-15(14)12-16/h3-4,8-12H,2,5-7,13H2,1H3,(H,21,26)
InChIKeyMOCSTIUBDRAHJA-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.28
Rot. Bonds7

About 2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide

2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide (PubChem CID 3229011) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
PubChem CID3229011
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C20H21N5O2S/c1-2-27-18-9-4-3-8-17(18)21-19(26)13-28-20-22-23-24-25(20)16-11-10-14-6-5-7-15(14)12-16/h3-4,8-12H,2,5-7,13H2,1H3,(H,21,26)
InChIKeyMOCSTIUBDRAHJA-UHFFFAOYSA-N
XLogP3.28
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetamide
CID 3229008
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1455235
N-(2-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614104
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 41273277
N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide
CID 3229015
N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175567
N-(4-acetamidophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16537052
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 55368874
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18874212
N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405208
N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27160013
N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 36534099

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide (CID 3229011) is 2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?
The InChIKey is MOCSTIUBDRAHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-2-27-18-9-4-3-8-17(18)21-19(26)13-28-20-22-23-24-25(20)16-11-10-14-6-5-7-15(14)12-16/h3-4,8-12H,2,5-7,13H2,1H3,(H,21,26).
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?
2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide has a molecular weight of 395.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 3229011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).