N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

C20H21FN2O2S — CID 86939681

IUPACN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c1
InChIInChI=1S/C20H21FN2O2S/c1-14-4-2-5-15(10-14)12-26-13-19(24)22-16-7-8-18(17(21)11-16)23-9-3-6-20(23)25/h2,4-5,7-8,10-11H,3,6,9,12-13H2,1H3,(H,22,24)
InChIKeyCHOFSPGDCKWOCA-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.13
Rot. Bonds6

About N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 86939681) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID86939681
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c1
InChIInChI=1S/C20H21FN2O2S/c1-14-4-2-5-15(10-14)12-26-13-19(24)22-16-7-8-18(17(21)11-16)23-9-3-6-20(23)25/h2,4-5,7-8,10-11H,3,6,9,12-13H2,1H3,(H,22,24)
InChIKeyCHOFSPGDCKWOCA-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)methylsulfanyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39003307
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 86940012
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide
CID 46575169
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 86939565
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30178225
1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 58845272
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923
2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42392974
2-[(3-methylphenyl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7926182
3-[[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122080094
2-(3-chlorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100758441
(Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide
CID 86939695

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 86939681) is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is Cc1cccc(CSCC(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c1.
What is the InChIKey of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is CHOFSPGDCKWOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-14-4-2-5-15(10-14)12-26-13-19(24)22-16-7-8-18(17(21)11-16)23-9-3-6-20(23)25/h2,4-5,7-8,10-11H,3,6,9,12-13H2,1H3,(H,22,24).
What are the key properties of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 86939681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).