4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide

C12H24N2O4S — CID 90011348

IUPAC4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide
SMILESCCCC(=O)NCCS(=O)(=O)CCC(CC)C(N)=O
InChIInChI=1S/C12H24N2O4S/c1-3-5-11(15)14-7-9-19(17,18)8-6-10(4-2)12(13)16/h10H,3-9H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyOODBQQWGGSHLJY-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.22
Rot. Bonds10

About 4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide

4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide (PubChem CID 90011348) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide.

Molecular Properties

Compound Name4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide
PubChem CID90011348
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide
SMILESCCCC(=O)NCCS(=O)(=O)CCC(CC)C(N)=O
InChIInChI=1S/C12H24N2O4S/c1-3-5-11(15)14-7-9-19(17,18)8-6-10(4-2)12(13)16/h10H,3-9H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyOODBQQWGGSHLJY-UHFFFAOYSA-N
XLogP0.22
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-ethylpentanamide
CID 178117178
2-ethylpentanamide;hydrochloride
CID 121334657
N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide
CID 156532549
2-ethyl-4-(propylamino)butanamide
CID 143325556
lithium;2-ethylhexanamide;hydride
CID 173043498
N-(3,3-difluoropropyl)butanamide
CID 147098310
4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide
CID 103810364
(2S)-2-ethylpentanediamide
CID 146526357
3-amino-N-(2-ethylsulfonylethyl)butanamide
CID 103810382
N-(2-aminoethyl)butanamide;ethane
CID 143117924
2-[2-(octadecanoylamino)ethyl]decanediamide
CID 150830211
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798

Frequently Asked Questions

What is the IUPAC name of 4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide?
The IUPAC name of 4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide (CID 90011348) is 4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide.
What is the SMILES notation for 4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide?
The canonical SMILES for 4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide is CCCC(=O)NCCS(=O)(=O)CCC(CC)C(N)=O.
What is the InChIKey of 4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide?
The InChIKey is OODBQQWGGSHLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-5-11(15)14-7-9-19(17,18)8-6-10(4-2)12(13)16/h10H,3-9H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide?
4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide has a molecular weight of 292.40 g/mol, XLogP of 0.22, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butanoylamino)ethylsulfonyl]-2-ethylbutanamide is sourced from PubChem (CID 90011348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).