2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide

C11H18N2O6S2 — CID 10290919

IUPAC2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide
SMILESC=CS(=O)(=O)CC(=O)NCC(C)NC(=O)CS(=O)(=O)C=C
InChIInChI=1S/C11H18N2O6S2/c1-4-20(16,17)7-10(14)12-6-9(3)13-11(15)8-21(18,19)5-2/h4-5,9H,1-2,6-8H2,3H3,(H,12,14)(H,13,15)
InChIKeyUERNUTHMNLBLQK-UHFFFAOYSA-N
MW338.41 g/mol
LogP-1.28
Rot. Bonds9

About 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide

2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide (PubChem CID 10290919) has the molecular formula C11H18N2O6S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide
PubChem CID10290919
Molecular FormulaC11H18N2O6S2
Molecular Weight338.41 g/mol
Exact Mass338.06
IUPAC Name2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide
SMILESC=CS(=O)(=O)CC(=O)NCC(C)NC(=O)CS(=O)(=O)C=C
InChIInChI=1S/C11H18N2O6S2/c1-4-20(16,17)7-10(14)12-6-9(3)13-11(15)8-21(18,19)5-2/h4-5,9H,1-2,6-8H2,3H3,(H,12,14)(H,13,15)
InChIKeyUERNUTHMNLBLQK-UHFFFAOYSA-N
XLogP-1.28
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide?
The IUPAC name of 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide (CID 10290919) is 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide.
What is the SMILES notation for 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide?
The canonical SMILES for 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide is C=CS(=O)(=O)CC(=O)NCC(C)NC(=O)CS(=O)(=O)C=C.
What is the InChIKey of 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide?
The InChIKey is UERNUTHMNLBLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6S2/c1-4-20(16,17)7-10(14)12-6-9(3)13-11(15)8-21(18,19)5-2/h4-5,9H,1-2,6-8H2,3H3,(H,12,14)(H,13,15).
What are the key properties of 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide?
2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of -1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]propyl]acetamide is sourced from PubChem (CID 10290919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).