N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide

C21H28N4O4S — CID 75543323

IUPACN-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)Nc3cc(C)ccc3C)NN2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H28N4O4S/c1-13-6-7-14(2)16(10-13)22-21(26)18-12-17(23-24-18)15-8-9-19(29-5)20(11-15)30(27,28)25(3)4/h6-11,17-18,23-24H,12H2,1-5H3,(H,22,26)
InChIKeyNVOXHUPKIUPSPQ-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.11
Rot. Bonds6

About N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide

N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide (PubChem CID 75543323) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide
PubChem CID75543323
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC NameN-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)Nc3cc(C)ccc3C)NN2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H28N4O4S/c1-13-6-7-14(2)16(10-13)22-21(26)18-12-17(23-24-18)15-8-9-19(29-5)20(11-15)30(27,28)25(3)4/h6-11,17-18,23-24H,12H2,1-5H3,(H,22,26)
InChIKeyNVOXHUPKIUPSPQ-UHFFFAOYSA-N
XLogP2.11
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide
CID 75543296
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75283567
5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 75543400
5-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)pyrazolidine-3-carboxamide
CID 75543396
5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75543348
5-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-3-carboxamide
CID 74459525
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 45373328
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
5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 75606260
N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74523011
N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
CID 75543395

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide (CID 75543323) is N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide is COc1ccc(C2CC(C(=O)Nc3cc(C)ccc3C)NN2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide?
The InChIKey is NVOXHUPKIUPSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-13-6-7-14(2)16(10-13)22-21(26)18-12-17(23-24-18)15-8-9-19(29-5)20(11-15)30(27,28)25(3)4/h6-11,17-18,23-24H,12H2,1-5H3,(H,22,26).
What are the key properties of N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide?
N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75543323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).