2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide

C20H25FN4O5S — CID 133239154

IUPAC2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NC2CC(c3cccc(F)c3)NN2)c1
InChIInChI=1S/C20H25FN4O5S/c1-25(31(27,28)18-10-15(29-2)7-8-17(18)30-3)12-20(26)22-19-11-16(23-24-19)13-5-4-6-14(21)9-13/h4-10,16,19,23-24H,11-12H2,1-3H3,(H,22,26)
InChIKeyYVQNLAXCGLWTBG-UHFFFAOYSA-N
MW452.51 g/mol
LogP1.14
Rot. Bonds8

About 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide

2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide (PubChem CID 133239154) has the molecular formula C20H25FN4O5S and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide
PubChem CID133239154
Molecular FormulaC20H25FN4O5S
Molecular Weight452.51 g/mol
Exact Mass452.15
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NC2CC(c3cccc(F)c3)NN2)c1
InChIInChI=1S/C20H25FN4O5S/c1-25(31(27,28)18-10-15(29-2)7-8-17(18)30-3)12-20(26)22-19-11-16(23-24-19)13-5-4-6-14(21)9-13/h4-10,16,19,23-24H,11-12H2,1-3H3,(H,22,26)
InChIKeyYVQNLAXCGLWTBG-UHFFFAOYSA-N
XLogP1.14
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 133239165
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide
CID 133239159
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 838669
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 92959555
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide
CID 133239194
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide
CID 133239129
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27001573
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1022058
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 100796945
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 45373445

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide (CID 133239154) is 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide is COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NC2CC(c3cccc(F)c3)NN2)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide?
The InChIKey is YVQNLAXCGLWTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O5S/c1-25(31(27,28)18-10-15(29-2)7-8-17(18)30-3)12-20(26)22-19-11-16(23-24-19)13-5-4-6-14(21)9-13/h4-10,16,19,23-24H,11-12H2,1-3H3,(H,22,26).
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide?
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide has a molecular weight of 452.51 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(3-fluorophenyl)pyrazolidin-3-yl]acetamide is sourced from PubChem (CID 133239154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).