5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide

C21H28N4O4S — CID 75543296

IUPAC5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(c3ccc(OC)c(S(=O)(=O)N(C)C)c3)NN2)cc1
InChIInChI=1S/C21H28N4O4S/c1-5-14-6-9-16(10-7-14)22-21(26)18-13-17(23-24-18)15-8-11-19(29-4)20(12-15)30(27,28)25(2)3/h6-12,17-18,23-24H,5,13H2,1-4H3,(H,22,26)
InChIKeyQZYGXUSVJGYEEE-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.05
Rot. Bonds7

About 5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide

5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide (PubChem CID 75543296) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide
PubChem CID75543296
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(c3ccc(OC)c(S(=O)(=O)N(C)C)c3)NN2)cc1
InChIInChI=1S/C21H28N4O4S/c1-5-14-6-9-16(10-7-14)22-21(26)18-13-17(23-24-18)15-8-11-19(29-4)20(12-15)30(27,28)25(2)3/h6-12,17-18,23-24H,5,13H2,1-4H3,(H,22,26)
InChIKeyQZYGXUSVJGYEEE-UHFFFAOYSA-N
XLogP2.05
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide
CID 75543323
5-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)pyrazolidine-3-carboxamide
CID 75543396
5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 75543400
N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
CID 75543375
N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide
CID 52987361
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 75085710
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide
CID 8849768
N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
CID 75543372
5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75543348
N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975433
5-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-3-carboxamide
CID 74459525

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide (CID 75543296) is 5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide is CCc1ccc(NC(=O)C2CC(c3ccc(OC)c(S(=O)(=O)N(C)C)c3)NN2)cc1.
What is the InChIKey of 5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is QZYGXUSVJGYEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-5-14-6-9-16(10-7-14)22-21(26)18-13-17(23-24-18)15-8-11-19(29-4)20(12-15)30(27,28)25(2)3/h6-12,17-18,23-24H,5,13H2,1-4H3,(H,22,26).
What are the key properties of 5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide?
5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75543296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).