3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide

C14H24N2O2S — CID 106088955

IUPAC3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCc1ccc(CC)cc1
InChIInChI=1S/C14H24N2O2S/c1-3-13-6-8-14(9-7-13)12-16-19(17,18)11-5-10-15-4-2/h6-9,15-16H,3-5,10-12H2,1-2H3
InChIKeyIMHYBRRHDXOKTM-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.67
Rot. Bonds9

About 3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide

3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide (PubChem CID 106088955) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide
PubChem CID106088955
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCc1ccc(CC)cc1
InChIInChI=1S/C14H24N2O2S/c1-3-13-6-8-14(9-7-13)12-16-19(17,18)11-5-10-15-4-2/h6-9,15-16H,3-5,10-12H2,1-2H3
InChIKeyIMHYBRRHDXOKTM-UHFFFAOYSA-N
XLogP1.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.67
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-[(4-ethylphenyl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106088943
N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54973910
3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 106049134
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)propane-1-sulfonamide
CID 106055202
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide
CID 106000823
3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide
CID 106062043
N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106058733
N-[(3-chloro-4-fluorophenyl)methyl]-3-(propylamino)propane-1-sulfonamide
CID 106055514
3-(propylamino)-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 106030719
N-benzylpentadecane-1-sulfonamide
CID 14025944
N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518723
2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide
CID 102359293

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide (CID 106088955) is 3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide is CCNCCCS(=O)(=O)NCc1ccc(CC)cc1.
What is the InChIKey of 3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide?
The InChIKey is IMHYBRRHDXOKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-13-6-8-14(9-7-13)12-16-19(17,18)11-5-10-15-4-2/h6-9,15-16H,3-5,10-12H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide?
3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 106088955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).