2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide

C20H26N2O4S — CID 132659229

IUPAC2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccc(C)cc1N(C(C)C(=O)NCc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-14-7-6-8-17(11-14)13-21-20(23)16(3)22(27(5,24)25)18-12-15(2)9-10-19(18)26-4/h6-12,16H,13H2,1-5H3,(H,21,23)
InChIKeyOUQLXVFPJZPFFD-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.78
Rot. Bonds7

About 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide

2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 132659229) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID132659229
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccc(C)cc1N(C(C)C(=O)NCc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-14-7-6-8-17(11-14)13-21-20(23)16(3)22(27(5,24)25)18-12-15(2)9-10-19(18)26-4/h6-12,16H,13H2,1-5H3,(H,21,23)
InChIKeyOUQLXVFPJZPFFD-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132670248
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 125072461
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218878
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125086273
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 125071295
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132670025
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132664806
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 40690950
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 132665763
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 92646323
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 53281375
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132666327

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide (CID 132659229) is 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide is COc1ccc(C)cc1N(C(C)C(=O)NCc1cccc(C)c1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is OUQLXVFPJZPFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14-7-6-8-17(11-14)13-21-20(23)16(3)22(27(5,24)25)18-12-15(2)9-10-19(18)26-4/h6-12,16H,13H2,1-5H3,(H,21,23).
What are the key properties of 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide?
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 390.51 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 132659229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).