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

C20H26N2O3S — CID 53285217

IUPACN-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
SMILESCCc1ccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-17-9-11-18(12-10-17)21-20(23)6-5-15-22(26(3,24)25)19-13-7-16(2)8-14-19/h7-14H,4-6,15H2,1-3H3,(H,21,23)
InChIKeyXKTZCYJXXPTUIV-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.74
Rot. Bonds8

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

N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide (PubChem CID 53285217) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
PubChem CID53285217
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
SMILESCCc1ccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-17-9-11-18(12-10-17)21-20(23)6-5-15-22(26(3,24)25)19-13-7-16(2)8-14-19/h7-14H,4-6,15H2,1-3H3,(H,21,23)
InChIKeyXKTZCYJXXPTUIV-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
CID 53286952
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
N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141984
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 124561496
N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141999
4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53285377
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285321
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide (CID 53285217) is N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide is CCc1ccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide?
The InChIKey is XKTZCYJXXPTUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-17-9-11-18(12-10-17)21-20(23)6-5-15-22(26(3,24)25)19-13-7-16(2)8-14-19/h7-14H,4-6,15H2,1-3H3,(H,21,23).
What are the key properties of N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide?
N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide has a molecular weight of 374.51 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53285217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).