N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide

C24H25FN4O2S2 — CID 26354395

IUPACN-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cnn(CC(=O)N2CCC(Sc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H25FN4O2S2/c25-18-6-8-21(9-7-18)33-22-10-12-28(13-11-22)24(31)16-29-15-19(14-26-29)27-23(30)17-32-20-4-2-1-3-5-20/h1-9,14-15,22H,10-13,16-17H2,(H,27,30)
InChIKeyUSTIQXGPZPBXGW-UHFFFAOYSA-N
MW484.62 g/mol
LogP4.54
Rot. Bonds8

About N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide

N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide (PubChem CID 26354395) has the molecular formula C24H25FN4O2S2 and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
PubChem CID26354395
Molecular FormulaC24H25FN4O2S2
Molecular Weight484.62 g/mol
Exact Mass484.14
IUPAC NameN-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cnn(CC(=O)N2CCC(Sc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H25FN4O2S2/c25-18-6-8-21(9-7-18)33-22-10-12-28(13-11-22)24(31)16-29-15-19(14-26-29)27-23(30)17-32-20-4-2-1-3-5-20/h1-9,14-15,22H,10-13,16-17H2,(H,27,30)
InChIKeyUSTIQXGPZPBXGW-UHFFFAOYSA-N
XLogP4.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide (CID 26354395) is N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cnn(CC(=O)N2CCC(Sc3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?
The InChIKey is USTIQXGPZPBXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2S2/c25-18-6-8-21(9-7-18)33-22-10-12-28(13-11-22)24(31)16-29-15-19(14-26-29)27-23(30)17-32-20-4-2-1-3-5-20/h1-9,14-15,22H,10-13,16-17H2,(H,27,30).
What are the key properties of N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?
N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide has a molecular weight of 484.62 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 26354395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).