5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide

C20H26N4O4S — CID 75543400

IUPAC5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide
SMILESCCNS(=O)(=O)c1cc(C2CC(C(=O)Nc3cccc(C)c3)NN2)ccc1OC
InChIInChI=1S/C20H26N4O4S/c1-4-21-29(26,27)19-11-14(8-9-18(19)28-3)16-12-17(24-23-16)20(25)22-15-7-5-6-13(2)10-15/h5-11,16-17,21,23-24H,4,12H2,1-3H3,(H,22,25)
InChIKeyAQZHXJWVCCSIBD-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.85
Rot. Bonds7

About 5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide

5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide (PubChem CID 75543400) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide
PubChem CID75543400
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide
SMILESCCNS(=O)(=O)c1cc(C2CC(C(=O)Nc3cccc(C)c3)NN2)ccc1OC
InChIInChI=1S/C20H26N4O4S/c1-4-21-29(26,27)19-11-14(8-9-18(19)28-3)16-12-17(24-23-16)20(25)22-15-7-5-6-13(2)10-15/h5-11,16-17,21,23-24H,4,12H2,1-3H3,(H,22,25)
InChIKeyAQZHXJWVCCSIBD-UHFFFAOYSA-N
XLogP1.85
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75543348
N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide
CID 52987361
5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide
CID 75543296
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
N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
CID 75543375
5-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-3-carboxamide
CID 74459525
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 75085710
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
CID 75543395
N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975433
ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 75234280

Frequently Asked Questions

What is the IUPAC name of 5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide (CID 75543400) is 5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide is CCNS(=O)(=O)c1cc(C2CC(C(=O)Nc3cccc(C)c3)NN2)ccc1OC.
What is the InChIKey of 5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is AQZHXJWVCCSIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-4-21-29(26,27)19-11-14(8-9-18(19)28-3)16-12-17(24-23-16)20(25)22-15-7-5-6-13(2)10-15/h5-11,16-17,21,23-24H,4,12H2,1-3H3,(H,22,25).
What are the key properties of 5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide?
5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 1.85, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75543400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).