5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide

C20H26N4O4S — CID 75543348

IUPAC5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide
SMILESCNS(=O)(=O)c1cc(C2CC(C(=O)NCc3cccc(C)c3)NN2)ccc1OC
InChIInChI=1S/C20H26N4O4S/c1-13-5-4-6-14(9-13)12-22-20(25)17-11-16(23-24-17)15-7-8-18(28-3)19(10-15)29(26,27)21-2/h4-10,16-17,21,23-24H,11-12H2,1-3H3,(H,22,25)
InChIKeyALBQRHXUHPGKLT-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.14
Rot. Bonds7

About 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide

5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 75543348) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide
PubChem CID75543348
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide
SMILESCNS(=O)(=O)c1cc(C2CC(C(=O)NCc3cccc(C)c3)NN2)ccc1OC
InChIInChI=1S/C20H26N4O4S/c1-13-5-4-6-14(9-13)12-22-20(25)17-11-16(23-24-17)15-7-8-18(28-3)19(10-15)29(26,27)21-2/h4-10,16-17,21,23-24H,11-12H2,1-3H3,(H,22,25)
InChIKeyALBQRHXUHPGKLT-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 75543400
N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide
CID 52987361
N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
CID 75543395
N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
CID 75543372
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide
CID 75543323
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665
5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide
CID 75543296
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75255278
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55947605
N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 47062659
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132659229

Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide (CID 75543348) is 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide is CNS(=O)(=O)c1cc(C2CC(C(=O)NCc3cccc(C)c3)NN2)ccc1OC.
What is the InChIKey of 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is ALBQRHXUHPGKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-13-5-4-6-14(9-13)12-22-20(25)17-11-16(23-24-17)15-7-8-18(28-3)19(10-15)29(26,27)21-2/h4-10,16-17,21,23-24H,11-12H2,1-3H3,(H,22,25).
What are the key properties of 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide?
5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 1.14, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75543348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).