N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide

C15H26N2O2S — CID 106060179

IUPACN-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-14(2)16-11-6-7-13-20(18,19)17-12-10-15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3
InChIKeyGXPVOUUXZDMAOO-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.93
Rot. Bonds10

About N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide

N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide (PubChem CID 106060179) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
PubChem CID106060179
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-14(2)16-11-6-7-13-20(18,19)17-12-10-15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3
InChIKeyGXPVOUUXZDMAOO-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.93
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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Related Compounds

N-(1-phenylpropan-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106062418
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
3-(propan-2-ylamino)-N-(2-thiophen-3-ylethyl)propane-1-sulfonamide
CID 54972108
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972457
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106423667
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106017911
3-chloro-2-methyl-N-(2-phenylethyl)propane-1-sulfonamide
CID 79585541
N-octyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479968
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The IUPAC name of N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide (CID 106060179) is N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide is CC(C)NCCCCS(=O)(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The InChIKey is GXPVOUUXZDMAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-14(2)16-11-6-7-13-20(18,19)17-12-10-15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3.
What are the key properties of N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide is sourced from PubChem (CID 106060179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).