2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide

C20H23N3O3S2 — CID 71808152

IUPAC2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2ccc(-c3cccs3)n2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-15(2)28(25,26)17-7-5-16(6-8-17)14-20(24)21-10-12-23-11-9-18(22-23)19-4-3-13-27-19/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,21,24)
InChIKeyMDXLSYXJNZVNKV-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.15
Rot. Bonds8

About 2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide

2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 71808152) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID71808152
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Name2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2ccc(-c3cccs3)n2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-15(2)28(25,26)17-7-5-16(6-8-17)14-20(24)21-10-12-23-11-9-18(22-23)19-4-3-13-27-19/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,21,24)
InChIKeyMDXLSYXJNZVNKV-UHFFFAOYSA-N
XLogP3.15
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (CID 71808152) is 2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2ccc(-c3cccs3)n2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is MDXLSYXJNZVNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-15(2)28(25,26)17-7-5-16(6-8-17)14-20(24)21-10-12-23-11-9-18(22-23)19-4-3-13-27-19/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 417.56 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfonylphenyl)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 71808152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).