3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide

C18H21FN2O4S — CID 33048211

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)NCCCOc1ccccc1
InChIInChI=1S/C18H21FN2O4S/c19-15-7-9-17(10-8-15)26(23,24)21-13-11-18(22)20-12-4-14-25-16-5-2-1-3-6-16/h1-3,5-10,21H,4,11-14H2,(H,20,22)
InChIKeyHPJVOWUWLZOKDT-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.08
Rot. Bonds10

About 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide

3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide (PubChem CID 33048211) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide
PubChem CID33048211
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)NCCCOc1ccccc1
InChIInChI=1S/C18H21FN2O4S/c19-15-7-9-17(10-8-15)26(23,24)21-13-11-18(22)20-12-4-14-25-16-5-2-1-3-6-16/h1-3,5-10,21H,4,11-14H2,(H,20,22)
InChIKeyHPJVOWUWLZOKDT-UHFFFAOYSA-N
XLogP2.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 2539107
N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 4963811
3-[(4-Phenoxyphenyl)sulfonylamino]propylcarbamoylphosphonic acid
CID 46866645
N-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9366247
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 24979967
1-(4-Methoxyphenyl)sulfonyl-1,4-diazepan-5-one
CID 1587283
4-(4-Ethoxyphenyl)sulfonylpiperazin-2-one
CID 2525137
N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4789550
4-ethoxy-N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxopropyl]benzenesulfonamide
CID 24818045
1-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-4-phenoxybutan-1-one
CID 9114544
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide
CID 18108349
3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 18160207

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide (CID 33048211) is 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCCCOc1ccccc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide?
The InChIKey is HPJVOWUWLZOKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c19-15-7-9-17(10-8-15)26(23,24)21-13-11-18(22)20-12-4-14-25-16-5-2-1-3-6-16/h1-3,5-10,21H,4,11-14H2,(H,20,22).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide has a molecular weight of 380.44 g/mol, XLogP of 2.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenoxypropyl)propanamide is sourced from PubChem (CID 33048211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).