2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide

C18H22N2O5S2 — CID 24981866

IUPAC2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCOc1ccccc1
InChIInChI=1S/C18H22N2O5S2/c21-17(19-8-11-25-15-4-2-1-3-5-15)14-16-6-7-18(26-16)27(22,23)20-9-12-24-13-10-20/h1-7H,8-14H2,(H,19,21)
InChIKeyNPVGLIDDMXIZGK-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.51
Rot. Bonds8

About 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide

2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide (PubChem CID 24981866) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide
PubChem CID24981866
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCOc1ccccc1
InChIInChI=1S/C18H22N2O5S2/c21-17(19-8-11-25-15-4-2-1-3-5-15)14-16-6-7-18(26-16)27(22,23)20-9-12-24-13-10-20/h1-7H,8-14H2,(H,19,21)
InChIKeyNPVGLIDDMXIZGK-UHFFFAOYSA-N
XLogP1.51
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.51
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 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide (CID 24981866) is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCOc1ccccc1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide?
The InChIKey is NPVGLIDDMXIZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c21-17(19-8-11-25-15-4-2-1-3-5-15)14-16-6-7-18(26-16)27(22,23)20-9-12-24-13-10-20/h1-7H,8-14H2,(H,19,21).
What are the key properties of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide?
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 24981866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).