N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide

C20H21F2N3O4S — CID 43995476

IUPACN-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H21F2N3O4S/c1-14-4-7-16(8-5-14)30(28,29)25(20(27)24-10-2-3-11-24)13-19(26)23-18-9-6-15(21)12-17(18)22/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,26)
InChIKeyVJBIVGREUJXDFV-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide

N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide (PubChem CID 43995476) has the molecular formula C20H21F2N3O4S and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
PubChem CID43995476
Molecular FormulaC20H21F2N3O4S
Molecular Weight437.47 g/mol
Exact Mass437.12
IUPAC NameN-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H21F2N3O4S/c1-14-4-7-16(8-5-14)30(28,29)25(20(27)24-10-2-3-11-24)13-19(26)23-18-9-6-15(21)12-17(18)22/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,26)
InChIKeyVJBIVGREUJXDFV-UHFFFAOYSA-N
XLogP3.12
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 43995378
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 53279384
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2,4-difluorophenyl)acetamide
CID 126062232
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 126030529
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 893384
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 16830438
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2,4-difluorophenyl)acetamide
CID 1330856
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 16803487
2-(N-acetyl-4-methylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167823
N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995446
N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069025
2-[cyclopentyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113148994

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide (CID 43995476) is N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
The InChIKey is VJBIVGREUJXDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O4S/c1-14-4-7-16(8-5-14)30(28,29)25(20(27)24-10-2-3-11-24)13-19(26)23-18-9-6-15(21)12-17(18)22/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,26).
What are the key properties of N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide has a molecular weight of 437.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide is sourced from PubChem (CID 43995476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).