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

C18H21FN2O4S2 — CID 24979000

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O4S2/c19-15-3-1-14(2-4-15)7-8-20-17(22)13-16-5-6-18(26-16)27(23,24)21-9-11-25-12-10-21/h1-6H,7-13H2,(H,20,22)
InChIKeyRMSJIDFFYOWEDZ-UHFFFAOYSA-N
MW412.51 g/mol
LogP1.81
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24979000) has the molecular formula C18H21FN2O4S2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24979000
Molecular FormulaC18H21FN2O4S2
Molecular Weight412.51 g/mol
Exact Mass412.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O4S2/c19-15-3-1-14(2-4-15)7-8-20-17(22)13-16-5-6-18(26-16)27(23,24)21-9-11-25-12-10-21/h1-6H,7-13H2,(H,20,22)
InChIKeyRMSJIDFFYOWEDZ-UHFFFAOYSA-N
XLogP1.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24979000) is N-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is RMSJIDFFYOWEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S2/c19-15-3-1-14(2-4-15)7-8-20-17(22)13-16-5-6-18(26-16)27(23,24)21-9-11-25-12-10-21/h1-6H,7-13H2,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 412.51 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24979000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).