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

C20H25FN2O4S — CID 26960609

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(C)CCOc2ccccc2F)cc1C
InChIInChI=1S/C20H25FN2O4S/c1-15-8-9-17(14-16(15)2)28(25,26)22-11-10-20(24)23(3)12-13-27-19-7-5-4-6-18(19)21/h4-9,14,22H,10-13H2,1-3H3
InChIKeyOOIATAPPZBFGBG-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.65
Rot. Bonds9

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

3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide (PubChem CID 26960609) 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-(2-fluorophenoxy)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
PubChem CID26960609
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(C)CCOc2ccccc2F)cc1C
InChIInChI=1S/C20H25FN2O4S/c1-15-8-9-17(14-16(15)2)28(25,26)22-11-10-20(24)23(3)12-13-27-19-7-5-4-6-18(19)21/h4-9,14,22H,10-13H2,1-3H3
InChIKeyOOIATAPPZBFGBG-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

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9366247
N-[2-(4-methylphenoxy)ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 16321449
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 24978896
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzene-1-sulfonamide
CID 24818109
2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 53257306
3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide
CID 9115939
3-[(4-methylphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 25162222
4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 2287873
2-(4-methoxyphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683022
1-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 4795384
N-[2-(3-methylphenoxy)ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9536009
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 24983143

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide (CID 26960609) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide is Cc1ccc(S(=O)(=O)NCCC(=O)N(C)CCOc2ccccc2F)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
The InChIKey is OOIATAPPZBFGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-15-8-9-17(14-16(15)2)28(25,26)22-11-10-20(24)23(3)12-13-27-19-7-5-4-6-18(19)21/h4-9,14,22H,10-13H2,1-3H3.
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(2-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-(2-fluorophenoxy)ethyl]-N-methylpropanamide is sourced from PubChem (CID 26960609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).