2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide

C20H21N5O3S — CID 46640384

IUPAC2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CSc1nnnn1CC1CCCO1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H21N5O3S/c26-19(14-29-20-22-23-24-25(20)13-16-9-6-12-27-16)21-17-10-4-5-11-18(17)28-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,26)
InChIKeyDTQOZEKXVVBBKA-UHFFFAOYSA-N
MW411.49 g/mol
LogP3.38
Rot. Bonds8

About 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide

2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide (PubChem CID 46640384) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide
PubChem CID46640384
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CSc1nnnn1CC1CCCO1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H21N5O3S/c26-19(14-29-20-22-23-24-25(20)13-16-9-6-12-27-16)21-17-10-4-5-11-18(17)28-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,26)
InChIKeyDTQOZEKXVVBBKA-UHFFFAOYSA-N
XLogP3.38
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 1176582
N-(2,6-dimethylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259079
N-(2-fluorophenyl)-3-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 43052771
N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259132
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 51259109
N-[(4-methoxyphenyl)carbamoyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46640592
2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 24523077
N-(2-methoxyphenyl)-2-[[5-methyl-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1162739
N-(3-fluoro-4-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259136
N-(methylcarbamoyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9388365
N-[2-(4-fluorophenyl)ethyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18099022
N-[1-(4-fluorophenyl)ethyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259203

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide (CID 46640384) is 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide is O=C(CSc1nnnn1CC1CCCO1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide?
The InChIKey is DTQOZEKXVVBBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c26-19(14-29-20-22-23-24-25(20)13-16-9-6-12-27-16)21-17-10-4-5-11-18(17)28-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,26).
What are the key properties of 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide?
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide has a molecular weight of 411.49 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 46640384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).