2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

C22H23N7O2S — CID 26575486

IUPAC2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1
InChIInChI=1S/C22H23N7O2S/c1-4-31-19-8-6-5-7-18(19)29-22(24-26-27-29)32-14-21(30)23-20-13-16(3)25-28(20)17-11-9-15(2)10-12-17/h5-13H,4,14H2,1-3H3,(H,23,30)
InChIKeyWOWVRBWHFKLIMF-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.59
Rot. Bonds8

About 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (PubChem CID 26575486) has the molecular formula C22H23N7O2S and a molecular weight of 449.54 g/mol. Its IUPAC name is 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
PubChem CID26575486
Molecular FormulaC22H23N7O2S
Molecular Weight449.54 g/mol
Exact Mass449.16
IUPAC Name2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1
InChIInChI=1S/C22H23N7O2S/c1-4-31-19-8-6-5-7-18(19)29-22(24-26-27-29)32-14-21(30)23-20-13-16(3)25-28(20)17-11-9-15(2)10-12-17/h5-13H,4,14H2,1-3H3,(H,23,30)
InChIKeyWOWVRBWHFKLIMF-UHFFFAOYSA-N
XLogP3.59
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 26651008
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 9438459
N-(4-acetamidophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16537052
ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate
CID 2632750
N-(2-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614104
N-(4-bromo-3-methylphenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614116
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-phenoxyphenyl)acetamide
CID 16537053
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynylacetamide
CID 26575544
ethyl 2-[[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2613871
N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 36534099
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2613850
N-(3-cyanophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614143

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (CID 26575486) is 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1.
What is the InChIKey of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is WOWVRBWHFKLIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2S/c1-4-31-19-8-6-5-7-18(19)29-22(24-26-27-29)32-14-21(30)23-20-13-16(3)25-28(20)17-11-9-15(2)10-12-17/h5-13H,4,14H2,1-3H3,(H,23,30).
What are the key properties of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 449.54 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 26575486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).