3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide

C20H25FN2O4S — CID 26994365

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(C)CCOc2ccc(F)cc2)cc1C
InChIInChI=1S/C20H25FN2O4S/c1-15-4-9-19(14-16(15)2)28(25,26)22-11-10-20(24)23(3)12-13-27-18-7-5-17(21)6-8-18/h4-9,14,22H,10-13H2,1-3H3
InChIKeyLPSNFNIZTCYKRI-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.65
Rot. Bonds9

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide (PubChem CID 26994365) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
PubChem CID26994365
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(C)CCOc2ccc(F)cc2)cc1C
InChIInChI=1S/C20H25FN2O4S/c1-15-4-9-19(14-16(15)2)28(25,26)22-11-10-20(24)23(3)12-13-27-18-7-5-17(21)6-8-18/h4-9,14,22H,10-13H2,1-3H3
InChIKeyLPSNFNIZTCYKRI-UHFFFAOYSA-N
XLogP2.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide (CID 26994365) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide is Cc1ccc(S(=O)(=O)NCCC(=O)N(C)CCOc2ccc(F)cc2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The InChIKey is LPSNFNIZTCYKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-15-4-9-19(14-16(15)2)28(25,26)22-11-10-20(24)23(3)12-13-27-18-7-5-17(21)6-8-18/h4-9,14,22H,10-13H2,1-3H3.
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide has a molecular weight of 408.50 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide is sourced from PubChem (CID 26994365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).