3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide

C20H25FN2O5S — CID 31327075

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C20H25FN2O5S/c1-4-28-16-6-8-17(9-7-16)29(25,26)22-12-11-20(24)23(2)14-15-5-10-19(27-3)18(21)13-15/h5-10,13,22H,4,11-12,14H2,1-3H3
InChIKeyPISGKSYPGSUAHV-UHFFFAOYSA-N
MW424.49 g/mol
LogP2.56
Rot. Bonds10

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 31327075) has the molecular formula C20H25FN2O5S and a molecular weight of 424.49 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID31327075
Molecular FormulaC20H25FN2O5S
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C20H25FN2O5S/c1-4-28-16-6-8-17(9-7-16)29(25,26)22-12-11-20(24)23(2)14-15-5-10-19(27-3)18(21)13-15/h5-10,13,22H,4,11-12,14H2,1-3H3
InChIKeyPISGKSYPGSUAHV-UHFFFAOYSA-N
XLogP2.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-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

Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 26622464
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 31916876
3-(ethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 62835854
N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 55557770
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55374003
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9182964
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108575198
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide (CID 31327075) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is PISGKSYPGSUAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5S/c1-4-28-16-6-8-17(9-7-16)29(25,26)22-12-11-20(24)23(2)14-15-5-10-19(27-3)18(21)13-15/h5-10,13,22H,4,11-12,14H2,1-3H3.
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 424.49 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 31327075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).