4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide

C15H26N2O2S — CID 106011733

IUPAC4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-16-11-5-6-12-20(18,19)17-14(3)15-9-7-13(2)8-10-15/h7-10,14,16-17H,4-6,11-12H2,1-3H3
InChIKeyCYULROPDHZTPQO-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.37
Rot. Bonds9

About 4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide

4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide (PubChem CID 106011733) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide
PubChem CID106011733
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-16-11-5-6-12-20(18,19)17-14(3)15-9-7-13(2)8-10-15/h7-10,14,16-17H,4-6,11-12H2,1-3H3
InChIKeyCYULROPDHZTPQO-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
CID 106003380
3-[[(1S)-1-(4-methylphenyl)ethyl]sulfamoyl]propanoic acid
CID 81350145
N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
CID 26001989
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide
CID 106062304
N-[1-(4-bromophenyl)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106049535
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]butane-1-sulfonamide
CID 114009928
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
3-cyano-N-[1-(4-ethylphenyl)ethyl]propane-1-sulfonamide
CID 56787518
N-[1-(4-bromophenyl)ethyl]-2-(propylamino)ethanesulfonamide
CID 106049594
3-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]propane-1-sulfonamide
CID 43654382

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide (CID 106011733) is 4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide is CCNCCCCS(=O)(=O)NC(C)c1ccc(C)cc1.
What is the InChIKey of 4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide?
The InChIKey is CYULROPDHZTPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-16-11-5-6-12-20(18,19)17-14(3)15-9-7-13(2)8-10-15/h7-10,14,16-17H,4-6,11-12H2,1-3H3.
What are the key properties of 4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide?
4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 106011733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).