N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide

C18H22N4O4S — CID 134086318

IUPACN-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)C2CC(c3cccnc3)NN2)cc1
InChIInChI=1S/C18H22N4O4S/c1-26-14-4-6-15(7-5-14)27(24,25)10-9-20-18(23)17-11-16(21-22-17)13-3-2-8-19-12-13/h2-8,12,16-17,21-22H,9-11H2,1H3,(H,20,23)
InChIKeyRUEJMYOEXFHQQV-UHFFFAOYSA-N
MW390.47 g/mol
LogP0.59
Rot. Bonds7

About N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide

N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide (PubChem CID 134086318) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide
PubChem CID134086318
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)C2CC(c3cccnc3)NN2)cc1
InChIInChI=1S/C18H22N4O4S/c1-26-14-4-6-15(7-5-14)27(24,25)10-9-20-18(23)17-11-16(21-22-17)13-3-2-8-19-12-13/h2-8,12,16-17,21-22H,9-11H2,1H3,(H,20,23)
InChIKeyRUEJMYOEXFHQQV-UHFFFAOYSA-N
XLogP0.59
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide (CID 134086318) is N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide is COc1ccc(S(=O)(=O)CCNC(=O)C2CC(c3cccnc3)NN2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide?
The InChIKey is RUEJMYOEXFHQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-26-14-4-6-15(7-5-14)27(24,25)10-9-20-18(23)17-11-16(21-22-17)13-3-2-8-19-12-13/h2-8,12,16-17,21-22H,9-11H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide?
N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134086318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).