N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide

C21H28N2O5S — CID 24643917

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCOc2cccc(C)c2)c1
InChIInChI=1S/C21H28N2O5S/c1-5-23(6-2)29(25,26)18-10-11-20(27-4)19(15-18)22-21(24)12-13-28-17-9-7-8-16(3)14-17/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,22,24)
InChIKeyFBNSGGVBVUTGHK-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.44
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide (PubChem CID 24643917) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide
PubChem CID24643917
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCOc2cccc(C)c2)c1
InChIInChI=1S/C21H28N2O5S/c1-5-23(6-2)29(25,26)18-10-11-20(27-4)19(15-18)22-21(24)12-13-28-17-9-7-8-16(3)14-17/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,22,24)
InChIKeyFBNSGGVBVUTGHK-UHFFFAOYSA-N
XLogP3.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide
CID 4794318
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 2793125
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 7929037
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(naphthalen-1-ylamino)acetamide
CID 24510599
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
CID 26505603
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 19237299
N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55603366
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide (CID 24643917) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCOc2cccc(C)c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is FBNSGGVBVUTGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-5-23(6-2)29(25,26)18-10-11-20(27-4)19(15-18)22-21(24)12-13-28-17-9-7-8-16(3)14-17/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,22,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 420.53 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 24643917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).