4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide

C21H28N2O3S — CID 53286952

IUPAC4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-17-8-12-19(13-9-17)22-21(24)7-6-16-23(27(3,25)26)20-14-10-18(5-2)11-15-20/h8-15H,4-7,16H2,1-3H3,(H,22,24)
InChIKeyLRDOBHUTKBBIOY-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.00
Rot. Bonds9

About 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide

4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide (PubChem CID 53286952) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
PubChem CID53286952
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-17-8-12-19(13-9-17)22-21(24)7-6-16-23(27(3,25)26)20-14-10-18(5-2)11-15-20/h8-15H,4-7,16H2,1-3H3,(H,22,24)
InChIKeyLRDOBHUTKBBIOY-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285217
4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
CID 100524022
3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113143927
4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53286515
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113145358
N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143636
N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141316
4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53287826

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide?
The IUPAC name of 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide (CID 53286952) is 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide.
What is the SMILES notation for 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide?
The canonical SMILES for 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide is CCc1ccc(NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide?
The InChIKey is LRDOBHUTKBBIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-17-8-12-19(13-9-17)22-21(24)7-6-16-23(27(3,25)26)20-14-10-18(5-2)11-15-20/h8-15H,4-7,16H2,1-3H3,(H,22,24).
What are the key properties of 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide?
4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide has a molecular weight of 388.53 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide is sourced from PubChem (CID 53286952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).