2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide

C15H24N2O4S2 — CID 2549966

IUPAC2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C15H24N2O4S2/c1-3-12(4-2)16-14(18)11-13-5-6-15(22-13)23(19,20)17-7-9-21-10-8-17/h5-6,12H,3-4,7-11H2,1-2H3,(H,16,18)
InChIKeyHKZLAQYHKWAOKA-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.62
Rot. Bonds7

About 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide

2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide (PubChem CID 2549966) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide
PubChem CID2549966
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C15H24N2O4S2/c1-3-12(4-2)16-14(18)11-13-5-6-15(22-13)23(19,20)17-7-9-21-10-8-17/h5-6,12H,3-4,7-11H2,1-2H3,(H,16,18)
InChIKeyHKZLAQYHKWAOKA-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide (CID 2549966) is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide?
The InChIKey is HKZLAQYHKWAOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-3-12(4-2)16-14(18)11-13-5-6-15(22-13)23(19,20)17-7-9-21-10-8-17/h5-6,12H,3-4,7-11H2,1-2H3,(H,16,18).
What are the key properties of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide?
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide has a molecular weight of 360.50 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 2549966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).