N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide

C8H16N2O4S — CID 123820811

IUPACN-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide
SMILESCC(=O)NCCS(=O)(=O)CCNC(C)=O
InChIInChI=1S/C8H16N2O4S/c1-7(11)9-3-5-15(13,14)6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyCGJRTNALCBNEPM-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.33
Rot. Bonds6

About N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide

N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide (PubChem CID 123820811) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide
PubChem CID123820811
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC NameN-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide
SMILESCC(=O)NCCS(=O)(=O)CCNC(C)=O
InChIInChI=1S/C8H16N2O4S/c1-7(11)9-3-5-15(13,14)6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyCGJRTNALCBNEPM-UHFFFAOYSA-N
XLogP-1.33
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide?
The IUPAC name of N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide (CID 123820811) is N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide is CC(=O)NCCS(=O)(=O)CCNC(C)=O.
What is the InChIKey of N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide?
The InChIKey is CGJRTNALCBNEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-7(11)9-3-5-15(13,14)6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide?
N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide has a molecular weight of 236.29 g/mol, XLogP of -1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide is sourced from PubChem (CID 123820811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).