2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

C20H21N3O2S — CID 32676658

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCOc1ccc(SCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-25-18-7-9-19(10-8-18)26-15-20(24)21-13-11-16-3-5-17(6-4-16)23-14-2-12-22-23/h2-10,12,14H,11,13,15H2,1H3,(H,21,24)
InChIKeyMSCKYNYUKVWZQR-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.33
Rot. Bonds8

About 2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (PubChem CID 32676658) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
PubChem CID32676658
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCOc1ccc(SCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-25-18-7-9-19(10-8-18)26-15-20(24)21-13-11-16-3-5-17(6-4-16)23-14-2-12-22-23/h2-10,12,14H,11,13,15H2,1H3,(H,21,24)
InChIKeyMSCKYNYUKVWZQR-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (CID 32676658) is 2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is COc1ccc(SCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is MSCKYNYUKVWZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-25-18-7-9-19(10-8-18)26-15-20(24)21-13-11-16-3-5-17(6-4-16)23-14-2-12-22-23/h2-10,12,14H,11,13,15H2,1H3,(H,21,24).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 32676658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).