4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide

C15H24N2O3S — CID 114468845

IUPAC4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide
SMILESC=C(C)COCCNc1ccc(S(=O)(=O)NCCC)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-9-17-21(18,19)15-7-5-14(6-8-15)16-10-11-20-12-13(2)3/h5-8,16-17H,2,4,9-12H2,1,3H3
InChIKeyNJFVBNSAVPSDEP-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.38
Rot. Bonds10

About 4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide

4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide (PubChem CID 114468845) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide
PubChem CID114468845
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide
SMILESC=C(C)COCCNc1ccc(S(=O)(=O)NCCC)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-9-17-21(18,19)15-7-5-14(6-8-15)16-10-11-20-12-13(2)3/h5-8,16-17H,2,4,9-12H2,1,3H3
InChIKeyNJFVBNSAVPSDEP-UHFFFAOYSA-N
XLogP2.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-4-propylsulfonylaniline
CID 114468837
2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240983
N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethylsulfonyl)aniline
CID 115698632
4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698761
2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid
CID 79457379
4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698683
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide
CID 106239804

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide (CID 114468845) is 4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide is C=C(C)COCCNc1ccc(S(=O)(=O)NCCC)cc1.
What is the InChIKey of 4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide?
The InChIKey is NJFVBNSAVPSDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-9-17-21(18,19)15-7-5-14(6-8-15)16-10-11-20-12-13(2)3/h5-8,16-17H,2,4,9-12H2,1,3H3.
What are the key properties of 4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide?
4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 114468845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).