2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide

C12H20N2O6S2 — CID 22948366

IUPAC2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide
SMILESC=CS(=O)(=O)CC(=O)NCCCCNC(=O)CS(=O)(=O)C=C
InChIInChI=1S/C12H20N2O6S2/c1-3-21(17,18)9-11(15)13-7-5-6-8-14-12(16)10-22(19,20)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
InChIKeyBNQAJWZUIQNYQJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP-0.88
Rot. Bonds11

About 2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide

2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide (PubChem CID 22948366) has the molecular formula C12H20N2O6S2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide.

Molecular Properties

Compound Name2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide
PubChem CID22948366
Molecular FormulaC12H20N2O6S2
Molecular Weight352.43 g/mol
Exact Mass352.08
IUPAC Name2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide
SMILESC=CS(=O)(=O)CC(=O)NCCCCNC(=O)CS(=O)(=O)C=C
InChIInChI=1S/C12H20N2O6S2/c1-3-21(17,18)9-11(15)13-7-5-6-8-14-12(16)10-22(19,20)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
InChIKeyBNQAJWZUIQNYQJ-UHFFFAOYSA-N
XLogP-0.88
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide?
The IUPAC name of 2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide (CID 22948366) is 2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide.
What is the SMILES notation for 2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide?
The canonical SMILES for 2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide is C=CS(=O)(=O)CC(=O)NCCCCNC(=O)CS(=O)(=O)C=C.
What is the InChIKey of 2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide?
The InChIKey is BNQAJWZUIQNYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6S2/c1-3-21(17,18)9-11(15)13-7-5-6-8-14-12(16)10-22(19,20)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16).
What are the key properties of 2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide?
2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide has a molecular weight of 352.43 g/mol, XLogP of -0.88, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyl-N-[4-[(2-ethenylsulfonylacetyl)amino]butyl]acetamide is sourced from PubChem (CID 22948366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).