N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide

C21H28N2O3S — CID 17201138

IUPACN-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCCCCc1ccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-6-7-18-9-11-19(12-10-18)22-21(24)15-23(27(4,25)26)20-13-8-16(2)14-17(20)3/h8-14H,5-7,15H2,1-4H3,(H,22,24)
InChIKeyDWZORNHTZTUHMQ-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.05
Rot. Bonds8

About N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide

N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 17201138) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID17201138
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCCCCc1ccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-6-7-18-9-11-19(12-10-18)22-21(24)15-23(27(4,25)26)20-13-8-16(2)14-17(20)3/h8-14H,5-7,15H2,1-4H3,(H,22,24)
InChIKeyDWZORNHTZTUHMQ-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338023
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
N-[4-(cyanomethyl)phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1138681
N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 2209357
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-butylphenyl)acetamide
CID 2224772
N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 2206356
methyl 4-[[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 2212453
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 21372673

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide (CID 17201138) is N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide is CCCCc1ccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is DWZORNHTZTUHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-6-7-18-9-11-19(12-10-18)22-21(24)15-23(27(4,25)26)20-13-8-16(2)14-17(20)3/h8-14H,5-7,15H2,1-4H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 388.53 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 17201138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).