2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide

C13H18N2O4S2 — CID 25163602

IUPAC2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C13H18N2O4S2/c1-2-5-14-12(16)10-11-3-4-13(20-11)21(17,18)15-6-8-19-9-7-15/h2-4H,1,5-10H2,(H,14,16)
InChIKeyANLWRZPUPYQVNY-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.61
Rot. Bonds6

About 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide

2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide (PubChem CID 25163602) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide
PubChem CID25163602
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C13H18N2O4S2/c1-2-5-14-12(16)10-11-3-4-13(20-11)21(17,18)15-6-8-19-9-7-15/h2-4H,1,5-10H2,(H,14,16)
InChIKeyANLWRZPUPYQVNY-UHFFFAOYSA-N
XLogP0.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide (CID 25163602) is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide?
The InChIKey is ANLWRZPUPYQVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c1-2-5-14-12(16)10-11-3-4-13(20-11)21(17,18)15-6-8-19-9-7-15/h2-4H,1,5-10H2,(H,14,16).
What are the key properties of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide?
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide has a molecular weight of 330.43 g/mol, XLogP of 0.61, 6 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-prop-2-enylacetamide is sourced from PubChem (CID 25163602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).