(2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

C20H26N2O4S — CID 1333488

IUPAC(2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N([C@@H](C)C(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-6-26-18-11-9-17(10-12-18)22(27(5,24)25)16(4)20(23)21-19-13-14(2)7-8-15(19)3/h7-13,16H,6H2,1-5H3,(H,21,23)/t16-/m0/s1
InChIKeySVGWRSIBEUEALJ-INIZCTEOSA-N
MW390.51 g/mol
LogP3.50
Rot. Bonds7

About (2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

(2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 1333488) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
PubChem CID1333488
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name(2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N([C@@H](C)C(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-6-26-18-11-9-17(10-12-18)22(27(5,24)25)16(4)20(23)21-19-13-14(2)7-8-15(19)3/h7-13,16H,6H2,1-5H3,(H,21,23)/t16-/m0/s1
InChIKeySVGWRSIBEUEALJ-INIZCTEOSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 1320042
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248741
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333410
N-(2,4-dimethoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 2910799
(2S)-N-(2-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1322346
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
CID 3954255
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 125070834
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126342070
(2R)-N-(2,5-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494772
2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 126029750

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (CID 1333488) is (2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is CCOc1ccc(N([C@@H](C)C(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is SVGWRSIBEUEALJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-6-26-18-11-9-17(10-12-18)22(27(5,24)25)16(4)20(23)21-19-13-14(2)7-8-15(19)3/h7-13,16H,6H2,1-5H3,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
(2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 1333488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).