N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C21H27FN4O3S — CID 133239165

IUPACN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)NC2CC(c3cccc(F)c3)NN2)c(C)c1
InChIInChI=1S/C21H27FN4O3S/c1-13-8-14(2)21(15(3)9-13)30(28,29)26(4)12-20(27)23-19-11-18(24-25-19)16-6-5-7-17(22)10-16/h5-10,18-19,24-25H,11-12H2,1-4H3,(H,23,27)
InChIKeyVHXMUFFKNCGHEQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.05
Rot. Bonds6

About N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 133239165) has the molecular formula C21H27FN4O3S and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID133239165
Molecular FormulaC21H27FN4O3S
Molecular Weight434.54 g/mol
Exact Mass434.18
IUPAC NameN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)NC2CC(c3cccc(F)c3)NN2)c(C)c1
InChIInChI=1S/C21H27FN4O3S/c1-13-8-14(2)21(15(3)9-13)30(28,29)26(4)12-20(27)23-19-11-18(24-25-19)16-6-5-7-17(22)10-16/h5-10,18-19,24-25H,11-12H2,1-4H3,(H,23,27)
InChIKeyVHXMUFFKNCGHEQ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide
CID 133239159
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide
CID 133239154
N-(2,3-dimethylphenyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1314170
N-[(3-methylphenyl)methyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100794524
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 133239134
N-(2,5-dimethylphenyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40690990
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide
CID 133239194
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 133239187
N-(furan-2-ylmethyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1085413
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1021379
2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 7439655
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 133239210

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 133239165) is N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NC2CC(c3cccc(F)c3)NN2)c(C)c1.
What is the InChIKey of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is VHXMUFFKNCGHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3S/c1-13-8-14(2)21(15(3)9-13)30(28,29)26(4)12-20(27)23-19-11-18(24-25-19)16-6-5-7-17(22)10-16/h5-10,18-19,24-25H,11-12H2,1-4H3,(H,23,27).
What are the key properties of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 434.54 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 133239165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).