4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide

C21H27FN2O4S — CID 171138774

IUPAC4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide
SMILESCC(C)CNS(=O)(=O)Cc1cccc(NC(=O)CCCOc2ccc(F)cc2)c1
InChIInChI=1S/C21H27FN2O4S/c1-16(2)14-23-29(26,27)15-17-5-3-6-19(13-17)24-21(25)7-4-12-28-20-10-8-18(22)9-11-20/h3,5-6,8-11,13,16,23H,4,7,12,14-15H2,1-2H3,(H,24,25)
InChIKeyRYNUJIXIWVBRRF-UHFFFAOYSA-N
MW422.52 g/mol
LogP3.70
Rot. Bonds11

About 4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide

4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide (PubChem CID 171138774) has the molecular formula C21H27FN2O4S and a molecular weight of 422.52 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide
PubChem CID171138774
Molecular FormulaC21H27FN2O4S
Molecular Weight422.52 g/mol
Exact Mass422.17
IUPAC Name4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide
SMILESCC(C)CNS(=O)(=O)Cc1cccc(NC(=O)CCCOc2ccc(F)cc2)c1
InChIInChI=1S/C21H27FN2O4S/c1-16(2)14-23-29(26,27)15-17-5-3-6-19(13-17)24-21(25)7-4-12-28-20-10-8-18(22)9-11-20/h3,5-6,8-11,13,16,23H,4,7,12,14-15H2,1-2H3,(H,24,25)
InChIKeyRYNUJIXIWVBRRF-UHFFFAOYSA-N
XLogP3.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide 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-(dimethylsulfamoylmethyl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 171138767
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 91954163
4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide
CID 39953910
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207322
4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933281
4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 86941749
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
CID 19173838
3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide
CID 91954178
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide (CID 171138774) is 4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide is CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)CCCOc2ccc(F)cc2)c1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide?
The InChIKey is RYNUJIXIWVBRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4S/c1-16(2)14-23-29(26,27)15-17-5-3-6-19(13-17)24-21(25)7-4-12-28-20-10-8-18(22)9-11-20/h3,5-6,8-11,13,16,23H,4,7,12,14-15H2,1-2H3,(H,24,25).
What are the key properties of 4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide?
4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide has a molecular weight of 422.52 g/mol, XLogP of 3.70, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]butanamide is sourced from PubChem (CID 171138774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).