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

C18H21FN2O5S2 — CID 24979484

IUPACN-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCOc1ccccc1F
InChIInChI=1S/C18H21FN2O5S2/c19-15-3-1-2-4-16(15)26-10-7-20-17(22)13-14-5-6-18(27-14)28(23,24)21-8-11-25-12-9-21/h1-6H,7-13H2,(H,20,22)
InChIKeyIGYIXRGZSAGPIA-UHFFFAOYSA-N
MW428.51 g/mol
LogP1.65
Rot. Bonds8

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

N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24979484) has the molecular formula C18H21FN2O5S2 and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24979484
Molecular FormulaC18H21FN2O5S2
Molecular Weight428.51 g/mol
Exact Mass428.09
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCOc1ccccc1F
InChIInChI=1S/C18H21FN2O5S2/c19-15-3-1-2-4-16(15)26-10-7-20-17(22)13-14-5-6-18(27-14)28(23,24)21-8-11-25-12-9-21/h1-6H,7-13H2,(H,20,22)
InChIKeyIGYIXRGZSAGPIA-UHFFFAOYSA-N
XLogP1.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 51.65
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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Related Compounds

CID 24978773
CID 24978773
CID 24979495
CID 24979495
CID 24981970
CID 24981970
CID 55479093
CID 55479093
CID 71451454
CID 71451454
CID 24817072
CID 24817072
CID 24817866
CID 24817866
CID 24981866
CID 24981866
CID 24982306
CID 24982306
CID 2579712
CID 2579712
CID 25161889
CID 25161889
CID 25161929
CID 25161929

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24979484) is N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is IGYIXRGZSAGPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5S2/c19-15-3-1-2-4-16(15)26-10-7-20-17(22)13-14-5-6-18(27-14)28(23,24)21-8-11-25-12-9-21/h1-6H,7-13H2,(H,20,22).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 428.51 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24979484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).