5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide

C23H30N4O5S — CID 75283576

IUPAC5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)NN2)c(OC)c1
InChIInChI=1S/C23H30N4O5S/c1-31-17-8-11-19(22(14-17)32-2)20-15-21(26-25-20)23(28)24-16-6-9-18(10-7-16)33(29,30)27-12-4-3-5-13-27/h6-11,14,20-21,25-26H,3-5,12-13,15H2,1-2H3,(H,24,28)
InChIKeyQBBOYWYTJDZAHR-UHFFFAOYSA-N
MW474.58 g/mol
LogP2.42
Rot. Bonds7

About 5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide

5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide (PubChem CID 75283576) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
PubChem CID75283576
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC Name5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)NN2)c(OC)c1
InChIInChI=1S/C23H30N4O5S/c1-31-17-8-11-19(22(14-17)32-2)20-15-21(26-25-20)23(28)24-16-6-9-18(10-7-16)33(29,30)27-12-4-3-5-13-27/h6-11,14,20-21,25-26H,3-5,12-13,15H2,1-2H3,(H,24,28)
InChIKeyQBBOYWYTJDZAHR-UHFFFAOYSA-N
XLogP2.42
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605691
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51342756
(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 99667195
1-(2,5-dimethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]piperidine-4-carboxamide
CID 99967724
1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 43053304
N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254984
(3R)-1-(4-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40963809
2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 41484524
5-(5-chloro-2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazolidine-3-carboxamide
CID 75653285
(E)-3-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 2492481
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 1081686
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide (CID 75283576) is 5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide is COc1ccc(C2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)NN2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is QBBOYWYTJDZAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-31-17-8-11-19(22(14-17)32-2)20-15-21(26-25-20)23(28)24-16-6-9-18(10-7-16)33(29,30)27-12-4-3-5-13-27/h6-11,14,20-21,25-26H,3-5,12-13,15H2,1-2H3,(H,24,28).
What are the key properties of 5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide?
5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75283576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).