2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

C21H26N2O5S — CID 55546294

IUPAC2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC=Cc1ccc(OCC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C21H26N2O5S/c1-4-5-17-8-11-19(20(14-17)27-3)28-15-21(24)22-12-13-23-29(25,26)18-9-6-16(2)7-10-18/h4-11,14,23H,12-13,15H2,1-3H3,(H,22,24)
InChIKeyCTBDWCJFCBOCIA-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.51
Rot. Bonds10

About 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 55546294) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID55546294
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC=Cc1ccc(OCC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C21H26N2O5S/c1-4-5-17-8-11-19(20(14-17)27-3)28-15-21(24)22-12-13-23-29(25,26)18-9-6-16(2)7-10-18/h4-11,14,23H,12-13,15H2,1-3H3,(H,22,24)
InChIKeyCTBDWCJFCBOCIA-UHFFFAOYSA-N
XLogP2.51
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108574295
N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478784
2-(2-tert-butyl-4-methylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 108572463
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 30763943
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 9314320
2-(2-tert-butyl-4-methylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108572464
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97429002
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 7695867
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 108574386
N-(2-fluoro-5-methylphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426327
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (CID 55546294) is 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is CC=Cc1ccc(OCC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is CTBDWCJFCBOCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-4-5-17-8-11-19(20(14-17)27-3)28-15-21(24)22-12-13-23-29(25,26)18-9-6-16(2)7-10-18/h4-11,14,23H,12-13,15H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 55546294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).