4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide

C15H23NO4S — CID 103270402

IUPAC4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCCOCC(NS(=O)(=O)c1ccc(C(C)=O)cc1)C(C)C
InChIInChI=1S/C15H23NO4S/c1-5-20-10-15(11(2)3)16-21(18,19)14-8-6-13(7-9-14)12(4)17/h6-9,11,15-16H,5,10H2,1-4H3
InChIKeyVGHFHGXLYAYYGO-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.23
Rot. Bonds8

About 4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide

4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 103270402) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID103270402
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCCOCC(NS(=O)(=O)c1ccc(C(C)=O)cc1)C(C)C
InChIInChI=1S/C15H23NO4S/c1-5-20-10-15(11(2)3)16-21(18,19)14-8-6-13(7-9-14)12(4)17/h6-9,11,15-16H,5,10H2,1-4H3
InChIKeyVGHFHGXLYAYYGO-UHFFFAOYSA-N
XLogP2.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61395312
diethyl 2-[(4-acetylphenyl)sulfonylamino]propanedioate
CID 5224259
3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 103270413
2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 43081296
(2R)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29050959
4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
4-acetyl-N-ethoxybenzenesulfonamide
CID 60700500
4-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501748
N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide
CID 106002518
3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270415
4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide
CID 65192569

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide (CID 103270402) is 4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide is CCOCC(NS(=O)(=O)c1ccc(C(C)=O)cc1)C(C)C.
What is the InChIKey of 4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is VGHFHGXLYAYYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-5-20-10-15(11(2)3)16-21(18,19)14-8-6-13(7-9-14)12(4)17/h6-9,11,15-16H,5,10H2,1-4H3.
What are the key properties of 4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide?
4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 103270402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).