2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C20H19FN2O3S — CID 34192175

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(F)c1
InChIInChI=1S/C20H19FN2O3S/c1-13(24)14-4-9-18(17(21)11-14)27-12-19(25)22-15-5-7-16(8-6-15)23-10-2-3-20(23)26/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)
InChIKeyCDBABHKVJKXQJU-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.89
Rot. Bonds6

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 34192175) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID34192175
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(F)c1
InChIInChI=1S/C20H19FN2O3S/c1-13(24)14-4-9-18(17(21)11-14)27-12-19(25)22-15-5-7-16(8-6-15)23-10-2-3-20(23)26/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)
InChIKeyCDBABHKVJKXQJU-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
2-(2-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31717118
2-(4-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8747158
2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42392974
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 55741827
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-amino-3,5-dichlorophenyl)acetamide
CID 51193247
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363809
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9210686
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
2-(4-acetamidophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36562536
N-[4-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanylphenyl]acetamide
CID 8881981

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 34192175) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CC(=O)c1ccc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is CDBABHKVJKXQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-13(24)14-4-9-18(17(21)11-14)27-12-19(25)22-15-5-7-16(8-6-15)23-10-2-3-20(23)26/h4-9,11H,2-3,10,12H2,1H3,(H,22,25).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 34192175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).