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

C12H18N2O4S2 — CID 25161681

IUPACN-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C12H18N2O4S2/c1-2-13-11(15)9-10-3-4-12(19-10)20(16,17)14-5-7-18-8-6-14/h3-4H,2,5-9H2,1H3,(H,13,15)
InChIKeyPLKKSJPBAJSCIL-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.45
Rot. Bonds5

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

N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 25161681) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID25161681
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C12H18N2O4S2/c1-2-13-11(15)9-10-3-4-12(19-10)20(16,17)14-5-7-18-8-6-14/h3-4H,2,5-9H2,1H3,(H,13,15)
InChIKeyPLKKSJPBAJSCIL-UHFFFAOYSA-N
XLogP0.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 25161681) is N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is PLKKSJPBAJSCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-2-13-11(15)9-10-3-4-12(19-10)20(16,17)14-5-7-18-8-6-14/h3-4H,2,5-9H2,1H3,(H,13,15).
What are the key properties of N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 25161681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).