N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide

C13H19NO3S — CID 118271385

IUPACN-(benzenesulfonyl)-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-11(2)9-10-14(12(3)15)18(16,17)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3
InChIKeyGSSSDUZJLUNCOT-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.27
Rot. Bonds5

About N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide

N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide (PubChem CID 118271385) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(3-methylbutyl)acetamide
PubChem CID118271385
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(benzenesulfonyl)-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-11(2)9-10-14(12(3)15)18(16,17)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3
InChIKeyGSSSDUZJLUNCOT-UHFFFAOYSA-N
XLogP2.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-1-(2-methylpropyl)urea
CID 154208378
N-(benzenesulfonyl)-N-ethylacetamide
CID 138792566
N-(2-methylprop-2-enyl)-N-(2-methylpropyl)benzenesulfonamide
CID 162407437
ethyl N-(3-methylbutyl)-N-(4-methylphenyl)sulfonylcarbamate
CID 163464803
3-[benzenesulfonyl(2-methylpropyl)amino]propylcarbamic acid
CID 142959686
N-[(3S)-7-amino-2-oxoheptan-3-yl]-N-(2-methylpropyl)benzenesulfonamide
CID 59412122
N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide
CID 168810754
3-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190065
N-(2-hydroxy-1-phenylbutan-2-yl)-N-(3-methylbutyl)benzenesulfonamide
CID 173309563
2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid
CID 119192737
N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide
CID 168895048
N-[3-[benzyl(hydroxy)amino]propyl]-N-(2-methylpropyl)benzenesulfonamide
CID 10317422

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide (CID 118271385) is N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide is CC(=O)N(CCC(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide?
The InChIKey is GSSSDUZJLUNCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11(2)9-10-14(12(3)15)18(16,17)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide?
N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 118271385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).