N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide

C20H20FN3OS2 — CID 72718630

IUPACN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCCn1nc(-c2cccs2)cc1C1CC1
InChIInChI=1S/C20H20FN3OS2/c21-15-5-7-16(8-6-15)27-13-20(25)22-9-10-24-18(14-3-4-14)12-17(23-24)19-2-1-11-26-19/h1-2,5-8,11-12,14H,3-4,9-10,13H2,(H,22,25)
InChIKeyWTCDJMDZITUZKK-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.54
Rot. Bonds8

About N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide

N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 72718630) has the molecular formula C20H20FN3OS2 and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID72718630
Molecular FormulaC20H20FN3OS2
Molecular Weight401.53 g/mol
Exact Mass401.10
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCCn1nc(-c2cccs2)cc1C1CC1
InChIInChI=1S/C20H20FN3OS2/c21-15-5-7-16(8-6-15)27-13-20(25)22-9-10-24-18(14-3-4-14)12-17(23-24)19-2-1-11-26-19/h1-2,5-8,11-12,14H,3-4,9-10,13H2,(H,22,25)
InChIKeyWTCDJMDZITUZKK-UHFFFAOYSA-N
XLogP4.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide (CID 72718630) is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)NCCn1nc(-c2cccs2)cc1C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is WTCDJMDZITUZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS2/c21-15-5-7-16(8-6-15)27-13-20(25)22-9-10-24-18(14-3-4-14)12-17(23-24)19-2-1-11-26-19/h1-2,5-8,11-12,14H,3-4,9-10,13H2,(H,22,25).
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 401.53 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 72718630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).