N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide

C23H33N3O5S2 — CID 21368260

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C23H33N3O5S2/c1-6-25(7-2)33(30,31)21-14-12-20(13-15-21)24-23(27)9-8-16-26(32(5,28)29)22-17-18(3)10-11-19(22)4/h10-15,17H,6-9,16H2,1-5H3,(H,24,27)
InChIKeyCXKPIHHYKLBOJS-UHFFFAOYSA-N
MW495.67 g/mol
LogP3.52
Rot. Bonds11

About N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide

N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide (PubChem CID 21368260) has the molecular formula C23H33N3O5S2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
PubChem CID21368260
Molecular FormulaC23H33N3O5S2
Molecular Weight495.67 g/mol
Exact Mass495.19
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C23H33N3O5S2/c1-6-25(7-2)33(30,31)21-14-12-20(13-15-21)24-23(27)9-8-16-26(32(5,28)29)22-17-18(3)10-11-19(22)4/h10-15,17H,6-9,16H2,1-5H3,(H,24,27)
InChIKeyCXKPIHHYKLBOJS-UHFFFAOYSA-N
XLogP3.52
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide
CID 21173770
N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126254789
N-(3,4-difluorophenyl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 21367184
3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113142208
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 126327140
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-[4-[(2,5-dimethylphenyl)-ethylsulfamoyl]phenyl]acetamide
CID 94622687
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide
CID 53281001
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519907
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43886818
2-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-propan-2-ylbenzamide
CID 21367609

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide (CID 21368260) is N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide?
The InChIKey is CXKPIHHYKLBOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5S2/c1-6-25(7-2)33(30,31)21-14-12-20(13-15-21)24-23(27)9-8-16-26(32(5,28)29)22-17-18(3)10-11-19(22)4/h10-15,17H,6-9,16H2,1-5H3,(H,24,27).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide?
N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide has a molecular weight of 495.67 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 21368260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).