2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C20H22FN3O4S — CID 43876440

IUPAC2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C20H22FN3O4S/c1-14(24(29(2,27)28)18-9-5-15(21)6-10-18)20(26)22-16-7-11-17(12-8-16)23-13-3-4-19(23)25/h5-12,14H,3-4,13H2,1-2H3,(H,22,26)
InChIKeyITFOCXPRWKHIQX-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.75
Rot. Bonds6

About 2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 43876440) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID43876440
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C20H22FN3O4S/c1-14(24(29(2,27)28)18-9-5-15(21)6-10-18)20(26)22-16-7-11-17(12-8-16)23-13-3-4-19(23)25/h5-12,14H,3-4,13H2,1-2H3,(H,22,26)
InChIKeyITFOCXPRWKHIQX-UHFFFAOYSA-N
XLogP2.75
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46763572
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991418
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 99130813
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 100757502
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 99950338
2-(4-methyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 133166804
N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 53281549
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30275389
(2S)-N-[4-(cyanomethyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991430
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100504865
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 92675395
2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 71899235

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 43876440) is 2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is CC(C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is ITFOCXPRWKHIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-14(24(29(2,27)28)18-9-5-15(21)6-10-18)20(26)22-16-7-11-17(12-8-16)23-13-3-4-19(23)25/h5-12,14H,3-4,13H2,1-2H3,(H,22,26).
What are the key properties of 2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 419.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 43876440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).