N-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C19H24N2O6S2 — CID 24982306

IUPACN-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCOc1ccccc1OCCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C19H24N2O6S2/c1-25-16-4-2-3-5-17(16)27-11-8-20-18(22)14-15-6-7-19(28-15)29(23,24)21-9-12-26-13-10-21/h2-7H,8-14H2,1H3,(H,20,22)
InChIKeyPMAXAIMVWASSSJ-UHFFFAOYSA-N
MW440.54 g/mol
LogP1.52
Rot. Bonds9

About N-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24982306) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24982306
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCOc1ccccc1OCCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C19H24N2O6S2/c1-25-16-4-2-3-5-17(16)27-11-8-20-18(22)14-15-6-7-19(28-15)29(23,24)21-9-12-26-13-10-21/h2-7H,8-14H2,1H3,(H,20,22)
InChIKeyPMAXAIMVWASSSJ-UHFFFAOYSA-N
XLogP1.52
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24982306) is N-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is COc1ccccc1OCCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is PMAXAIMVWASSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c1-25-16-4-2-3-5-17(16)27-11-8-20-18(22)14-15-6-7-19(28-15)29(23,24)21-9-12-26-13-10-21/h2-7H,8-14H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 440.54 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24982306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).