4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide

C19H30N2O6S — CID 55749212

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)CCCOc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C19H30N2O6S/c1-5-28(24,25)21(3)12-7-11-20-19(23)8-6-13-27-17-10-9-16(15(2)22)14-18(17)26-4/h9-10,14H,5-8,11-13H2,1-4H3,(H,20,23)
InChIKeyJXENUBSQEYYIFK-UHFFFAOYSA-N
MW414.52 g/mol
LogP1.84
Rot. Bonds13

About 4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide

4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide (PubChem CID 55749212) has the molecular formula C19H30N2O6S and a molecular weight of 414.52 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide
PubChem CID55749212
Molecular FormulaC19H30N2O6S
Molecular Weight414.52 g/mol
Exact Mass414.18
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)CCCOc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C19H30N2O6S/c1-5-28(24,25)21(3)12-7-11-20-19(23)8-6-13-27-17-10-9-16(15(2)22)14-18(17)26-4/h9-10,14H,5-8,11-13H2,1-4H3,(H,20,23)
InChIKeyJXENUBSQEYYIFK-UHFFFAOYSA-N
XLogP1.84
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]ethyl]-4-chlorobenzamide
CID 55761848
4-(difluoromethoxy)-N-[2-[3-[ethylsulfonyl(methyl)amino]propylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55693685
4-(4-acetyl-2-methoxyphenoxy)-N-[2-(2,6-dichlorophenyl)ethyl]butanamide
CID 60566414
4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide
CID 55894328
4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 55743530
5-[[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245692
4-(4-acetyl-2-methoxyphenoxy)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 55892746
1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanone
CID 63191642
4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide
CID 55791807
N-butyl-4-[4-[(E)-3-[hydroxy(octyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenoxy]butanamide
CID 21337217
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689
4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide
CID 55738606

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide (CID 55749212) is 4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide is CCS(=O)(=O)N(C)CCCNC(=O)CCCOc1ccc(C(C)=O)cc1OC.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide?
The InChIKey is JXENUBSQEYYIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O6S/c1-5-28(24,25)21(3)12-7-11-20-19(23)8-6-13-27-17-10-9-16(15(2)22)14-18(17)26-4/h9-10,14H,5-8,11-13H2,1-4H3,(H,20,23).
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide?
4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide has a molecular weight of 414.52 g/mol, XLogP of 1.84, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide is sourced from PubChem (CID 55749212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).