6-amino-N-(benzenesulfonyl)-4-ethylhexanamide

C14H22N2O3S — CID 103308862

IUPAC6-amino-N-(benzenesulfonyl)-4-ethylhexanamide
SMILESCCC(CCN)CCC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-2-12(10-11-15)8-9-14(17)16-20(18,19)13-6-4-3-5-7-13/h3-7,12H,2,8-11,15H2,1H3,(H,16,17)
InChIKeyTUAWEMPCGKCIAN-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.65
Rot. Bonds8

About 6-amino-N-(benzenesulfonyl)-4-ethylhexanamide

6-amino-N-(benzenesulfonyl)-4-ethylhexanamide (PubChem CID 103308862) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-amino-N-(benzenesulfonyl)-4-ethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(benzenesulfonyl)-4-ethylhexanamide
PubChem CID103308862
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name6-amino-N-(benzenesulfonyl)-4-ethylhexanamide
SMILESCCC(CCN)CCC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-2-12(10-11-15)8-9-14(17)16-20(18,19)13-6-4-3-5-7-13/h3-7,12H,2,8-11,15H2,1H3,(H,16,17)
InChIKeyTUAWEMPCGKCIAN-UHFFFAOYSA-N
XLogP1.65
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide
CID 107863213
ethyl 3-[[4-(benzenesulfonamido)-4-oxobutanoyl]amino]propanoate
CID 172991928
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
CID 110839421
N-(4-amino-2-methylbutyl)benzenesulfonamide
CID 66091403
3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide
CID 103308815
N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride
CID 90425402
(2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide
CID 67920805
N-(benzenesulfonyl)-2,2,3-trimethylbutanamide
CID 69481639
2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide
CID 103308749

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(benzenesulfonyl)-4-ethylhexanamide?
The IUPAC name of 6-amino-N-(benzenesulfonyl)-4-ethylhexanamide (CID 103308862) is 6-amino-N-(benzenesulfonyl)-4-ethylhexanamide.
What is the SMILES notation for 6-amino-N-(benzenesulfonyl)-4-ethylhexanamide?
The canonical SMILES for 6-amino-N-(benzenesulfonyl)-4-ethylhexanamide is CCC(CCN)CCC(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 6-amino-N-(benzenesulfonyl)-4-ethylhexanamide?
The InChIKey is TUAWEMPCGKCIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-12(10-11-15)8-9-14(17)16-20(18,19)13-6-4-3-5-7-13/h3-7,12H,2,8-11,15H2,1H3,(H,16,17).
What are the key properties of 6-amino-N-(benzenesulfonyl)-4-ethylhexanamide?
6-amino-N-(benzenesulfonyl)-4-ethylhexanamide has a molecular weight of 298.41 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(benzenesulfonyl)-4-ethylhexanamide is sourced from PubChem (CID 103308862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).