N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide

C20H25FN2O4S — CID 112781624

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)Oc2cccc(F)c2)ccc1C
InChIInChI=1S/C20H25FN2O4S/c1-5-23(6-2)28(25,26)19-13-17(11-10-14(19)3)22-20(24)15(4)27-18-9-7-8-16(21)12-18/h7-13,15H,5-6H2,1-4H3,(H,22,24)
InChIKeyFKUXNTDXXOIKNV-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.57
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide (PubChem CID 112781624) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide
PubChem CID112781624
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)Oc2cccc(F)c2)ccc1C
InChIInChI=1S/C20H25FN2O4S/c1-5-23(6-2)28(25,26)19-13-17(11-10-14(19)3)22-20(24)15(4)27-18-9-7-8-16(21)12-18/h7-13,15H,5-6H2,1-4H3,(H,22,24)
InChIKeyFKUXNTDXXOIKNV-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 7892595
(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 7812070
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 5138475
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide
CID 26521263
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 7760061
N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 18170408
N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86986176
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 40768898
[(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477382
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 55504436
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 52559295

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide (CID 112781624) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)Oc2cccc(F)c2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide?
The InChIKey is FKUXNTDXXOIKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-5-23(6-2)28(25,26)19-13-17(11-10-14(19)3)22-20(24)15(4)27-18-9-7-8-16(21)12-18/h7-13,15H,5-6H2,1-4H3,(H,22,24).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide has a molecular weight of 408.50 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 112781624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).