N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide

C24H31N3O6S — CID 24581992

IUPACN-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)c(C(C)=O)c1
InChIInChI=1S/C24H31N3O6S/c1-7-8-23(29)25-18-9-10-22(20(12-18)17(4)28)33-14-24(30)26-21-13-19(11-15(2)16(21)3)34(31,32)27(5)6/h9-13H,7-8,14H2,1-6H3,(H,25,29)(H,26,30)
InChIKeyJGMIWMBLWGZFEB-UHFFFAOYSA-N
MW489.59 g/mol
LogP3.51
Rot. Bonds10

About N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide

N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide (PubChem CID 24581992) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide
PubChem CID24581992
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC NameN-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)c(C(C)=O)c1
InChIInChI=1S/C24H31N3O6S/c1-7-8-23(29)25-18-9-10-22(20(12-18)17(4)28)33-14-24(30)26-21-13-19(11-15(2)16(21)3)34(31,32)27(5)6/h9-13H,7-8,14H2,1-6H3,(H,25,29)(H,26,30)
InChIKeyJGMIWMBLWGZFEB-UHFFFAOYSA-N
XLogP3.51
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24581585
2-(2-acetylphenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7859322
methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate
CID 24581952
N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide
CID 75438927
N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide
CID 52891638
N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide
CID 31471779
N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
CID 38255563
N-[3-(dimethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 7705824
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24582148
N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide
CID 16545454
2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7167750
N-[3-acetyl-4-[2-(4-bromophenoxy)ethoxy]phenyl]butanamide
CID 31471787

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide?
The IUPAC name of N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide (CID 24581992) is N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide.
What is the SMILES notation for N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide?
The canonical SMILES for N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide is CCCC(=O)Nc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)c(C(C)=O)c1.
What is the InChIKey of N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide?
The InChIKey is JGMIWMBLWGZFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-7-8-23(29)25-18-9-10-22(20(12-18)17(4)28)33-14-24(30)26-21-13-19(11-15(2)16(21)3)34(31,32)27(5)6/h9-13H,7-8,14H2,1-6H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide?
N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide has a molecular weight of 489.59 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide is sourced from PubChem (CID 24581992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).