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

C18H21FN2O3S — CID 35806898

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)NCCCc1ccccc1
InChIInChI=1S/C18H21FN2O3S/c19-16-8-10-17(11-9-16)25(23,24)21-14-12-18(22)20-13-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,21H,4,7,12-14H2,(H,20,22)
InChIKeyKJHFTSZLACNMSL-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.24
Rot. Bonds9

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

3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide (PubChem CID 35806898) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
PubChem CID35806898
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)NCCCc1ccccc1
InChIInChI=1S/C18H21FN2O3S/c19-16-8-10-17(11-9-16)25(23,24)21-14-12-18(22)20-13-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,21H,4,7,12-14H2,(H,20,22)
InChIKeyKJHFTSZLACNMSL-UHFFFAOYSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806518
3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2451587
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 17192279
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 18107802

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide (CID 35806898) is 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCCCc1ccccc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide?
The InChIKey is KJHFTSZLACNMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c19-16-8-10-17(11-9-16)25(23,24)21-14-12-18(22)20-13-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,21H,4,7,12-14H2,(H,20,22).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide has a molecular weight of 364.44 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 35806898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).