N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide

C20H26N2O4S — CID 133165887

IUPACN-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCc1cccc(OCCNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)c1C
InChIInChI=1S/C20H26N2O4S/c1-15-9-8-12-19(16(15)2)26-14-13-21-20(23)17(3)22(27(4,24)25)18-10-6-5-7-11-18/h5-12,17H,13-14H2,1-4H3,(H,21,23)
InChIKeyXMGKAUNNGNYRKX-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.65
Rot. Bonds8

About N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide

N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide (PubChem CID 133165887) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
PubChem CID133165887
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCc1cccc(OCCNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)c1C
InChIInChI=1S/C20H26N2O4S/c1-15-9-8-12-19(16(15)2)26-14-13-21-20(23)17(3)22(27(4,24)25)18-10-6-5-7-11-18/h5-12,17H,13-14H2,1-4H3,(H,21,23)
InChIKeyXMGKAUNNGNYRKX-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)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-[2-(2,3-dimethylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 133165891
(2R)-N-[2-(2,3-dimethylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125081967
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165892
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165986
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133166033
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185271
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 133185468
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165900
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165223
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185268
2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220477

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide (CID 133165887) is N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide is Cc1cccc(OCCNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)c1C.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is XMGKAUNNGNYRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-9-8-12-19(16(15)2)26-14-13-21-20(23)17(3)22(27(4,24)25)18-10-6-5-7-11-18/h5-12,17H,13-14H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide?
N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 390.51 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 133165887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).