3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide

C15H23FN2O4S — CID 17192279

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O4S/c1-12(2)22-11-3-9-17-15(19)8-10-18-23(20,21)14-6-4-13(16)5-7-14/h4-7,12,18H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyIOVCLQQNUJLMPL-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.43
Rot. Bonds10

About 3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide

3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 17192279) has the molecular formula C15H23FN2O4S and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID17192279
Molecular FormulaC15H23FN2O4S
Molecular Weight346.42 g/mol
Exact Mass346.14
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O4S/c1-12(2)22-11-3-9-17-15(19)8-10-18-23(20,21)14-6-4-13(16)5-7-14/h4-7,12,18H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyIOVCLQQNUJLMPL-UHFFFAOYSA-N
XLogP1.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.43
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

N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31336412
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126326800
(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid
CID 119368464
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
4-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 113449953
4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106011750
N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192698
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55953414

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide (CID 17192279) is 3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is IOVCLQQNUJLMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4S/c1-12(2)22-11-3-9-17-15(19)8-10-18-23(20,21)14-6-4-13(16)5-7-14/h4-7,12,18H,3,8-11H2,1-2H3,(H,17,19).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 346.42 g/mol, XLogP of 1.43, 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-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 17192279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).