2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C20H21N3O2S — CID 55610898

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCCOc1ccc(SCC(=O)Nc2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-25-18-7-9-19(10-8-18)26-15-20(24)22-17-6-3-5-16(13-17)14-23-12-4-11-21-23/h3-13H,2,14-15H2,1H3,(H,22,24)
InChIKeyDUPVALIUVDERLY-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.06
Rot. Bonds8

About 2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 55610898) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID55610898
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCCOc1ccc(SCC(=O)Nc2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-25-18-7-9-19(10-8-18)26-15-20(24)22-17-6-3-5-16(13-17)14-23-12-4-11-21-23/h3-13H,2,14-15H2,1H3,(H,22,24)
InChIKeyDUPVALIUVDERLY-UHFFFAOYSA-N
XLogP4.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46424002
N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 18905949
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 30823439
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 30499440
2-(4-ethoxyphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9404160
N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 19630614
N-(4-ethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316374

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 55610898) is 2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is CCOc1ccc(SCC(=O)Nc2cccc(Cn3cccn3)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is DUPVALIUVDERLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-2-25-18-7-9-19(10-8-18)26-15-20(24)22-17-6-3-5-16(13-17)14-23-12-4-11-21-23/h3-13H,2,14-15H2,1H3,(H,22,24).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 55610898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).