N-butyl-2-(2-phenylethylamino)ethanesulfonamide

C14H24N2O2S — CID 44602032

IUPACN-butyl-2-(2-phenylethylamino)ethanesulfonamide
SMILESCCCCNS(=O)(=O)CCNCCc1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-2-3-10-16-19(17,18)13-12-15-11-9-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3
InChIKeyYROUTKUKGBTMJY-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.54
Rot. Bonds10

About N-butyl-2-(2-phenylethylamino)ethanesulfonamide

N-butyl-2-(2-phenylethylamino)ethanesulfonamide (PubChem CID 44602032) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-butyl-2-(2-phenylethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-butyl-2-(2-phenylethylamino)ethanesulfonamide
PubChem CID44602032
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-butyl-2-(2-phenylethylamino)ethanesulfonamide
SMILESCCCCNS(=O)(=O)CCNCCc1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-2-3-10-16-19(17,18)13-12-15-11-9-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3
InChIKeyYROUTKUKGBTMJY-UHFFFAOYSA-N
XLogP1.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-phenylethylamino)ethanesulfonamide?
The IUPAC name of N-butyl-2-(2-phenylethylamino)ethanesulfonamide (CID 44602032) is N-butyl-2-(2-phenylethylamino)ethanesulfonamide.
What is the SMILES notation for N-butyl-2-(2-phenylethylamino)ethanesulfonamide?
The canonical SMILES for N-butyl-2-(2-phenylethylamino)ethanesulfonamide is CCCCNS(=O)(=O)CCNCCc1ccccc1.
What is the InChIKey of N-butyl-2-(2-phenylethylamino)ethanesulfonamide?
The InChIKey is YROUTKUKGBTMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-2-3-10-16-19(17,18)13-12-15-11-9-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3.
What are the key properties of N-butyl-2-(2-phenylethylamino)ethanesulfonamide?
N-butyl-2-(2-phenylethylamino)ethanesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-phenylethylamino)ethanesulfonamide is sourced from PubChem (CID 44602032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).