N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide

C19H24N2O4S — CID 55983828

IUPACN-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2ccccc2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H24N2O4S/c1-15-8-6-9-16(14-15)25-13-7-12-19(22)20-17-10-4-5-11-18(17)26(23,24)21(2)3/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,20,22)
InChIKeyCZTIIJJXXPYEKJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.04
Rot. Bonds8

About N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide

N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide (PubChem CID 55983828) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide
PubChem CID55983828
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2ccccc2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H24N2O4S/c1-15-8-6-9-16(14-15)25-13-7-12-19(22)20-17-10-4-5-11-18(17)26(23,24)21(2)3/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,20,22)
InChIKeyCZTIIJJXXPYEKJ-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19173643
4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
CID 112793578
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide
CID 4794318
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 114309727
N-(2-ethoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2939056
N-(6-amino-1,3-benzodioxol-5-yl)-4-(3-methylphenoxy)butanamide
CID 119618453
4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide
CID 2086539
N-[2-(ethylaminomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 119439844
N-methyl-4-(3-methylphenoxy)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]butanamide
CID 40689264

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide (CID 55983828) is N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide is Cc1cccc(OCCCC(=O)Nc2ccccc2S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide?
The InChIKey is CZTIIJJXXPYEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-8-6-9-16(14-15)25-13-7-12-19(22)20-17-10-4-5-11-18(17)26(23,24)21(2)3/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide?
N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide has a molecular weight of 376.48 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 55983828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).