N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide

C14H24N2O3S — CID 62664770

IUPACN-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H24N2O3S/c1-5-15-8-9-16-20(17,18)13-6-7-14(12(4)10-13)19-11(2)3/h6-7,10-11,15-16H,5,8-9H2,1-4H3
InChIKeyWVZGIVFWPJQACI-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.67
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide

N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 62664770) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID62664770
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H24N2O3S/c1-5-15-8-9-16-20(17,18)13-6-7-14(12(4)10-13)19-11(2)3/h6-7,10-11,15-16H,5,8-9H2,1-4H3
InChIKeyWVZGIVFWPJQACI-UHFFFAOYSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448
3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide
CID 113236594
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
CID 60817410
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 119973985
3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723398

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide (CID 62664770) is N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide is CCNCCNS(=O)(=O)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is WVZGIVFWPJQACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-15-8-9-16-20(17,18)13-6-7-14(12(4)10-13)19-11(2)3/h6-7,10-11,15-16H,5,8-9H2,1-4H3.
What are the key properties of N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide?
N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 62664770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).