3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide

C20H26N2O4S — CID 113142208

IUPAC3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-26-18-10-8-17(9-11-18)21-20(23)12-13-22(27(4,24)25)19-14-15(2)6-7-16(19)3/h6-11,14H,5,12-13H2,1-4H3,(H,21,23)
InChIKeyRRHRRFGHYWWYSH-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.50
Rot. Bonds8

About 3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide

3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide (PubChem CID 113142208) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide
PubChem CID113142208
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-26-18-10-8-17(9-11-18)21-20(23)12-13-22(27(4,24)25)19-14-15(2)6-7-16(19)3/h6-11,14H,5,12-13H2,1-4H3,(H,21,23)
InChIKeyRRHRRFGHYWWYSH-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1100045
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(4-ethoxyphenyl)benzamide
CID 53287885
3-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144896
N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 21368260
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)butanamide
CID 53280923
3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142224
4-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide
CID 21173770
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113124239
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822
N-(3,4-difluorophenyl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 21367184
N-(4-chlorophenyl)-3-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 113144991

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide (CID 113142208) is 3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is RRHRRFGHYWWYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-26-18-10-8-17(9-11-18)21-20(23)12-13-22(27(4,24)25)19-14-15(2)6-7-16(19)3/h6-11,14H,5,12-13H2,1-4H3,(H,21,23).
What are the key properties of 3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide?
3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 113142208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).