N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C18H23N3O4S — CID 9114041

IUPACN-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCOc1ccccc1OCCNc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C18H23N3O4S/c1-24-16-6-2-3-7-17(16)25-13-10-19-18-9-8-15(14-20-18)26(22,23)21-11-4-5-12-21/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,19,20)
InChIKeyODNBIZCBCHSEPT-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.37
Rot. Bonds8

About N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 9114041) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID9114041
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCOc1ccccc1OCCNc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C18H23N3O4S/c1-24-16-6-2-3-7-17(16)25-13-10-19-18-9-8-15(14-20-18)26(22,23)21-11-4-5-12-21/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,19,20)
InChIKeyODNBIZCBCHSEPT-UHFFFAOYSA-N
XLogP2.37
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 9114041) is N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is COc1ccccc1OCCNc1ccc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is ODNBIZCBCHSEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-24-16-6-2-3-7-17(16)25-13-10-19-18-9-8-15(14-20-18)26(22,23)21-11-4-5-12-21/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 9114041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).