N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide

C21H28N2O3S — CID 113154127

IUPACN-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1ccccc1C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-6-16-11-7-10-14-19(16)23(27(5,25)26)15-20(24)22-18-13-9-8-12-17(18)21(2,3)4/h7-14H,6,15H2,1-5H3,(H,22,24)
InChIKeyBGGVYMNKOBQHRA-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.95
Rot. Bonds6

About N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide

N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide (PubChem CID 113154127) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
PubChem CID113154127
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1ccccc1C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-6-16-11-7-10-14-19(16)23(27(5,25)26)15-20(24)22-18-13-9-8-12-17(18)21(2,3)4/h7-14H,6,15H2,1-5H3,(H,22,24)
InChIKeyBGGVYMNKOBQHRA-UHFFFAOYSA-N
XLogP3.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide
CID 21372752
2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
CID 2194495
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1333886
2-(2-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 113154121
methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 2209012
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 27255894
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1321054
N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154134
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3296001
2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113154543

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide (CID 113154127) is N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide is CCc1ccccc1N(CC(=O)Nc1ccccc1C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is BGGVYMNKOBQHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-6-16-11-7-10-14-19(16)23(27(5,25)26)15-20(24)22-18-13-9-8-12-17(18)21(2,3)4/h7-14H,6,15H2,1-5H3,(H,22,24).
What are the key properties of N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113154127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).