N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide

C18H17FN2O3S — CID 94105507

IUPACN-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide
SMILESC[S@](=O)c1ccc(C(=O)Nc2ccc(F)c(N3CCCC3=O)c2)cc1
InChIInChI=1S/C18H17FN2O3S/c1-25(24)14-7-4-12(5-8-14)18(23)20-13-6-9-15(19)16(11-13)21-10-2-3-17(21)22/h4-9,11H,2-3,10H2,1H3,(H,20,23)/t25-/m0/s1
InChIKeySYRZDUWHSTYCJR-VWLOTQADSA-N
MW360.41 g/mol
LogP2.94
Rot. Bonds4

About N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide

N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide (PubChem CID 94105507) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide
PubChem CID94105507
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC NameN-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide
SMILESC[S@](=O)c1ccc(C(=O)Nc2ccc(F)c(N3CCCC3=O)c2)cc1
InChIInChI=1S/C18H17FN2O3S/c1-25(24)14-7-4-12(5-8-14)18(23)20-13-6-9-15(19)16(11-13)21-10-2-3-17(21)22/h4-9,11H,2-3,10H2,1H3,(H,20,23)/t25-/m0/s1
InChIKeySYRZDUWHSTYCJR-VWLOTQADSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide?
The IUPAC name of N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide (CID 94105507) is N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide.
What is the SMILES notation for N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide?
The canonical SMILES for N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide is C[S@](=O)c1ccc(C(=O)Nc2ccc(F)c(N3CCCC3=O)c2)cc1.
What is the InChIKey of N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide?
The InChIKey is SYRZDUWHSTYCJR-VWLOTQADSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-25(24)14-7-4-12(5-8-14)18(23)20-13-6-9-15(19)16(11-13)21-10-2-3-17(21)22/h4-9,11H,2-3,10H2,1H3,(H,20,23)/t25-/m0/s1.
What are the key properties of N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide?
N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide has a molecular weight of 360.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-[(S)-methylsulfinyl]benzamide is sourced from PubChem (CID 94105507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).