4-(2-acetamidoethylsulfonyl)butanamide

C8H16N2O4S — CID 90011139

IUPAC4-(2-acetamidoethylsulfonyl)butanamide
SMILESCC(=O)NCCS(=O)(=O)CCCC(N)=O
InChIInChI=1S/C8H16N2O4S/c1-7(11)10-4-6-15(13,14)5-2-3-8(9)12/h2-6H2,1H3,(H2,9,12)(H,10,11)
InChIKeyBMIOBTNQKPDRNQ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.20
Rot. Bonds7

About 4-(2-acetamidoethylsulfonyl)butanamide

4-(2-acetamidoethylsulfonyl)butanamide (PubChem CID 90011139) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-(2-acetamidoethylsulfonyl)butanamide.

Molecular Properties

Compound Name4-(2-acetamidoethylsulfonyl)butanamide
PubChem CID90011139
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name4-(2-acetamidoethylsulfonyl)butanamide
SMILESCC(=O)NCCS(=O)(=O)CCCC(N)=O
InChIInChI=1S/C8H16N2O4S/c1-7(11)10-4-6-15(13,14)5-2-3-8(9)12/h2-6H2,1H3,(H2,9,12)(H,10,11)
InChIKeyBMIOBTNQKPDRNQ-UHFFFAOYSA-N
XLogP-1.20
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propylsulfonylethyl)acetamide
CID 142065321
13-acetamido-8-oxotridecanamide
CID 158027008
N-[2-(2-ethylsulfonylethylamino)ethyl]acetamide
CID 43807754
N-[2-(2-propylsulfonylethylamino)ethyl]acetamide
CID 106723232
N-(3-acetamidopropyl)acetamide
CID 5147555
zinc;bis(2-acetamidoethanesulfonate);dihydrate
CID 173024428
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
4-acetamidobutane-1-sulfonate
CID 21045154
calcium 3-acetamidopropane-1-sulfonate
CID 21123437
lithium 4-acetamidobutanoate
CID 23665991
2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid
CID 43631516
3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one
CID 158546704

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethylsulfonyl)butanamide?
The IUPAC name of 4-(2-acetamidoethylsulfonyl)butanamide (CID 90011139) is 4-(2-acetamidoethylsulfonyl)butanamide.
What is the SMILES notation for 4-(2-acetamidoethylsulfonyl)butanamide?
The canonical SMILES for 4-(2-acetamidoethylsulfonyl)butanamide is CC(=O)NCCS(=O)(=O)CCCC(N)=O.
What is the InChIKey of 4-(2-acetamidoethylsulfonyl)butanamide?
The InChIKey is BMIOBTNQKPDRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-7(11)10-4-6-15(13,14)5-2-3-8(9)12/h2-6H2,1H3,(H2,9,12)(H,10,11).
What are the key properties of 4-(2-acetamidoethylsulfonyl)butanamide?
4-(2-acetamidoethylsulfonyl)butanamide has a molecular weight of 236.29 g/mol, XLogP of -1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethylsulfonyl)butanamide is sourced from PubChem (CID 90011139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).