2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C19H19F2N3O4S — CID 92675395

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N3O4S/c1-29(27,28)24(15-8-9-16(20)17(21)11-15)12-18(25)22-13-4-6-14(7-5-13)23-10-2-3-19(23)26/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)
InChIKeySUWVJQPLEJKIKX-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.50
Rot. Bonds6

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 92675395) has the molecular formula C19H19F2N3O4S and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID92675395
Molecular FormulaC19H19F2N3O4S
Molecular Weight423.44 g/mol
Exact Mass423.11
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N3O4S/c1-29(27,28)24(15-8-9-16(20)17(21)11-15)12-18(25)22-13-4-6-14(7-5-13)23-10-2-3-19(23)26/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)
InChIKeySUWVJQPLEJKIKX-UHFFFAOYSA-N
XLogP2.50
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30275389
2-(4-fluoro-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30222006
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30306516
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 92673763
N-(3,5-dichlorophenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 9173126
methyl 4-[methylsulfonyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]benzoate
CID 56539474
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30254169
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30221585
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30252683
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30305116

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 92675395) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is SUWVJQPLEJKIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4S/c1-29(27,28)24(15-8-9-16(20)17(21)11-15)12-18(25)22-13-4-6-14(7-5-13)23-10-2-3-19(23)26/h4-9,11H,2-3,10,12H2,1H3,(H,22,25).
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 423.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 92675395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).