N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide

C21H28N2O5S — CID 55752933

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COCCOc2ccccc2)ccc1C
InChIInChI=1S/C21H28N2O5S/c1-4-23(5-2)29(25,26)20-15-18(12-11-17(20)3)22-21(24)16-27-13-14-28-19-9-7-6-8-10-19/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,22,24)
InChIKeyLXYKZXGSEBXBOG-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.06
Rot. Bonds11

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide (PubChem CID 55752933) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide
PubChem CID55752933
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COCCOc2ccccc2)ccc1C
InChIInChI=1S/C21H28N2O5S/c1-4-23(5-2)29(25,26)20-15-18(12-11-17(20)3)22-21(24)16-27-13-14-28-19-9-7-6-8-10-19/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,22,24)
InChIKeyLXYKZXGSEBXBOG-UHFFFAOYSA-N
XLogP3.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-phenoxyethoxy)acetamide
CID 55702289
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 55308081
2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 8541301
4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 18205717
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 5075578
(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546179
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 4831398
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504642
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide
CID 8828438
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8020660

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide (CID 55752933) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)COCCOc2ccccc2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide?
The InChIKey is LXYKZXGSEBXBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-4-23(5-2)29(25,26)20-15-18(12-11-17(20)3)22-21(24)16-27-13-14-28-19-9-7-6-8-10-19/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide has a molecular weight of 420.53 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 55752933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).