2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C20H27N3O3S — CID 55864568

IUPAC2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1C
InChIInChI=1S/C20H27N3O3S/c1-4-23(19-10-5-15(2)13-16(19)3)14-20(24)22-12-11-17-6-8-18(9-7-17)27(21,25)26/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)(H2,21,25,26)
InChIKeyCTGLRWMGDCZYQX-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.14
Rot. Bonds8

About 2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 55864568) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID55864568
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1C
InChIInChI=1S/C20H27N3O3S/c1-4-23(19-10-5-15(2)13-16(19)3)14-20(24)22-12-11-17-6-8-18(9-7-17)27(21,25)26/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)(H2,21,25,26)
InChIKeyCTGLRWMGDCZYQX-UHFFFAOYSA-N
XLogP2.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027627
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
2-(2-methyl-N-methylsulfonylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 18277882
2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113148292
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163
N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027685
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 18861355
2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109331655
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538895

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 55864568) is 2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1C.
What is the InChIKey of 2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is CTGLRWMGDCZYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-23(19-10-5-15(2)13-16(19)3)14-20(24)22-12-11-17-6-8-18(9-7-17)27(21,25)26/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)(H2,21,25,26).
What are the key properties of 2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 389.52 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 55864568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).