N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C20H26N2O4S — CID 86922039

IUPACN-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H26N2O4S/c1-15(2)18-10-9-16(3)13-19(18)26-14-20(23)21-11-12-22-27(24,25)17-7-5-4-6-8-17/h4-10,13,15,22H,11-12,14H2,1-3H3,(H,21,23)
InChIKeyGAQISOONZLAHOU-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.59
Rot. Bonds9

About N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 86922039) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID86922039
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H26N2O4S/c1-15(2)18-10-9-16(3)13-19(18)26-14-20(23)21-11-12-22-27(24,25)17-7-5-4-6-8-17/h4-10,13,15,22H,11-12,14H2,1-3H3,(H,21,23)
InChIKeyGAQISOONZLAHOU-UHFFFAOYSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.59
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

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 4929865
N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100532072
N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78759998
4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide
CID 34992949
2-(2-tert-butyl-4-methylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 108572463
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 921036
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 35576743
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100559902
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
CID 63640126
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 86922039) is N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NCCNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is GAQISOONZLAHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(2)18-10-9-16(3)13-19(18)26-14-20(23)21-11-12-22-27(24,25)17-7-5-4-6-8-17/h4-10,13,15,22H,11-12,14H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 86922039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).