N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide

C15H19FN2O2S — CID 3436521

IUPACN-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)N1CCCC1
InChIInChI=1S/C15H19FN2O2S/c1-11(19)17-14(15(20)18-8-2-3-9-18)10-21-13-6-4-12(16)5-7-13/h4-7,14H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyKSOUIIRPKUCVJH-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.04
Rot. Bonds5

About N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide

N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide (PubChem CID 3436521) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
PubChem CID3436521
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC NameN-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)N1CCCC1
InChIInChI=1S/C15H19FN2O2S/c1-11(19)17-14(15(20)18-8-2-3-9-18)10-21-13-6-4-12(16)5-7-13/h4-7,14H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyKSOUIIRPKUCVJH-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 24980954
N-cyclopentyl-3-phenylthiopropanamide
CID 875577
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 4794340
Acetamide, N-(2-(dimethylamino)ethyl)-2-(phenylthio)-, monohydrochloride
CID 215578
Acetamide, N-(2-(diethylamino)ethyl)-2-(phenylthio)-, monohydrochloride
CID 215580
N-cyclohexyl-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 893674
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 4830029
2-((2,4-Difluorophenyl)sulfanyl)-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)acetamide
CID 557619
2-[4-(Benzenesulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9836943
N-[2-(dimethylamino)ethyl]-2-(phenylsulfanyl)acetamide
CID 215579
N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
CID 4640800
4-(2-((4-Fluorophenyl)sulfonyl)acetyl)-3,3-dimethylpiperazin-2-one
CID 16863849

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide (CID 3436521) is N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide is CC(=O)NC(CSc1ccc(F)cc1)C(=O)N1CCCC1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
The InChIKey is KSOUIIRPKUCVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-11(19)17-14(15(20)18-8-2-3-9-18)10-21-13-6-4-12(16)5-7-13/h4-7,14H,2-3,8-10H2,1H3,(H,17,19).
What are the key properties of N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide?
N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide has a molecular weight of 310.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 3436521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).