3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide

C19H23FN2O4S — CID 110612014

IUPAC3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide
SMILESCC(CS(=O)(=O)Nc1cccc(F)c1)C(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-14(13-27(25,26)22-17-6-2-5-16(20)12-17)19(24)21-11-3-4-15-7-9-18(23)10-8-15/h2,5-10,12,14,22-23H,3-4,11,13H2,1H3,(H,21,24)
InChIKeyKHNHFPGTQNUYOT-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.66
Rot. Bonds9

About 3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide

3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide (PubChem CID 110612014) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide
PubChem CID110612014
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide
SMILESCC(CS(=O)(=O)Nc1cccc(F)c1)C(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-14(13-27(25,26)22-17-6-2-5-16(20)12-17)19(24)21-11-3-4-15-7-9-18(23)10-8-15/h2,5-10,12,14,22-23H,3-4,11,13H2,1H3,(H,21,24)
InChIKeyKHNHFPGTQNUYOT-UHFFFAOYSA-N
XLogP2.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide
CID 110610179
3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110631787
3-[(3-fluorophenyl)sulfamoyl]-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 110626814
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110426408
N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110420926
3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide
CID 110417500
N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110411072
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110634102
3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide
CID 110674439
N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide
CID 7541549
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
N-(2,6-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110428867

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide?
The IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide (CID 110612014) is 3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide?
The canonical SMILES for 3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide is CC(CS(=O)(=O)Nc1cccc(F)c1)C(=O)NCCCc1ccc(O)cc1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide?
The InChIKey is KHNHFPGTQNUYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-14(13-27(25,26)22-17-6-2-5-16(20)12-17)19(24)21-11-3-4-15-7-9-18(23)10-8-15/h2,5-10,12,14,22-23H,3-4,11,13H2,1H3,(H,21,24).
What are the key properties of 3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide?
3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide has a molecular weight of 394.47 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide is sourced from PubChem (CID 110612014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).