2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide

C15H26N2O3S — CID 115324613

IUPAC2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H26N2O3S/c1-13(2)5-3-4-10-17-21(18,19)12-11-20-15-8-6-14(16)7-9-15/h6-9,13,17H,3-5,10-12,16H2,1-2H3
InChIKeyPCTBESBATBECOY-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.39
Rot. Bonds10

About 2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide

2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide (PubChem CID 115324613) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
PubChem CID115324613
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H26N2O3S/c1-13(2)5-3-4-10-17-21(18,19)12-11-20-15-8-6-14(16)7-9-15/h6-9,13,17H,3-5,10-12,16H2,1-2H3
InChIKeyPCTBESBATBECOY-UHFFFAOYSA-N
XLogP2.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-N-(5-hydroxypentyl)ethanesulfonamide
CID 107316382
2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324601
1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide
CID 115324575
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647
1-[2-(4-aminophenoxy)ethylsulfonyl]-3-propan-2-ylurea
CID 116646347
N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518427
2-(4-aminophenoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanesulfonamide
CID 106425681
2-(4-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
CID 65039925
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine
CID 103604960
N-(5-methylhexyl)ethanesulfonamide
CID 79002950
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide (CID 115324613) is 2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide is CC(C)CCCCNS(=O)(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide?
The InChIKey is PCTBESBATBECOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-13(2)5-3-4-10-17-21(18,19)12-11-20-15-8-6-14(16)7-9-15/h6-9,13,17H,3-5,10-12,16H2,1-2H3.
What are the key properties of 2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide?
2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide is sourced from PubChem (CID 115324613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).