4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide

C15H26N2O2S — CID 106057914

IUPAC4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H26N2O2S/c1-4-16-11-7-8-12-20(18,19)17-15-10-6-5-9-14(15)13(2)3/h5-6,9-10,13,16-17H,4,7-8,11-12H2,1-3H3
InChIKeyMVPSFWLBYYTLLV-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.94
Rot. Bonds9

About 4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide

4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide (PubChem CID 106057914) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide
PubChem CID106057914
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H26N2O2S/c1-4-16-11-7-8-12-20(18,19)17-15-10-6-5-9-14(15)13(2)3/h5-6,9-10,13,16-17H,4,7-8,11-12H2,1-3H3
InChIKeyMVPSFWLBYYTLLV-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.94
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-[2-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508199
N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide
CID 43508200
N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide
CID 63856595
4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide
CID 106057705
2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide
CID 63245696
2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
CID 54972905
3-chloro-2-methyl-N-(2-propan-2-ylphenyl)propane-1-sulfonamide
CID 79580372
3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide
CID 106003440
N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
CID 106003226
4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide
CID 106071458
4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide
CID 106051072
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide (CID 106057914) is 4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide is CCNCCCCS(=O)(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide?
The InChIKey is MVPSFWLBYYTLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-16-11-7-8-12-20(18,19)17-15-10-6-5-9-14(15)13(2)3/h5-6,9-10,13,16-17H,4,7-8,11-12H2,1-3H3.
What are the key properties of 4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide?
4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 106057914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).