2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide

C18H19FN2OS — CID 35357969

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H19FN2OS/c19-14-7-9-15(10-8-14)23-13-18(22)20-16-5-1-2-6-17(16)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
InChIKeyRVIPFMOJNLCTRW-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.16
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 35357969) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID35357969
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H19FN2OS/c19-14-7-9-15(10-8-14)23-13-18(22)20-16-5-1-2-6-17(16)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
InChIKeyRVIPFMOJNLCTRW-UHFFFAOYSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358026
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723
2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
CID 112789398
N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30898769
2-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492204
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 42000152
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 49004814
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30752050
N-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2994410

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 35357969) is 2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide is O=C(CSc1ccc(F)cc1)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is RVIPFMOJNLCTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c19-14-7-9-15(10-8-14)23-13-18(22)20-16-5-1-2-6-17(16)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 35357969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).