2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide

C21H27FN4O3S — CID 73221208

IUPAC2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(C)c(F)c2)S(=O)(=O)C2C(C)NNC2C)cc1
InChIInChI=1S/C21H27FN4O3S/c1-13-5-9-18(10-6-13)26(30(28,29)21-15(3)24-25-16(21)4)12-20(27)23-17-8-7-14(2)19(22)11-17/h5-11,15-16,21,24-25H,12H2,1-4H3,(H,23,27)
InChIKeyHLZAGOLPHAOYKX-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.47
Rot. Bonds6

About 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide

2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 73221208) has the molecular formula C21H27FN4O3S and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID73221208
Molecular FormulaC21H27FN4O3S
Molecular Weight434.54 g/mol
Exact Mass434.18
IUPAC Name2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(C)c(F)c2)S(=O)(=O)C2C(C)NNC2C)cc1
InChIInChI=1S/C21H27FN4O3S/c1-13-5-9-18(10-6-13)26(30(28,29)21-15(3)24-25-16(21)4)12-20(27)23-17-8-7-14(2)19(22)11-17/h5-11,15-16,21,24-25H,12H2,1-4H3,(H,23,27)
InChIKeyHLZAGOLPHAOYKX-UHFFFAOYSA-N
XLogP2.47
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide
CID 78313406
N-(3,4-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 53279104
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methylphenyl)acetamide
CID 53283197
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171177
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 20858834
2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 113155819
N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 53279263
N-(3,4-difluorophenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 53283271
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1320131
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 51342561

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide (CID 73221208) is 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(N(CC(=O)Nc2ccc(C)c(F)c2)S(=O)(=O)C2C(C)NNC2C)cc1.
What is the InChIKey of 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is HLZAGOLPHAOYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3S/c1-13-5-9-18(10-6-13)26(30(28,29)21-15(3)24-25-16(21)4)12-20(27)23-17-8-7-14(2)19(22)11-17/h5-11,15-16,21,24-25H,12H2,1-4H3,(H,23,27).
What are the key properties of 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 434.54 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 73221208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).