3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate

C18H26FNO5S — CID 153312148

IUPAC3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate
SMILESCC(=O)OCCCS(=O)(=O)N[C@H](C)c1ccc(F)c(OC2CCCC2)c1
InChIInChI=1S/C18H26FNO5S/c1-13(20-26(22,23)11-5-10-24-14(2)21)15-8-9-17(19)18(12-15)25-16-6-3-4-7-16/h8-9,12-13,16,20H,3-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyAYYRJVRNEFDGSS-CYBMUJFWSA-N
MW387.47 g/mol
LogP3.08
Rot. Bonds9

About 3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate

3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate (PubChem CID 153312148) has the molecular formula C18H26FNO5S and a molecular weight of 387.47 g/mol. Its IUPAC name is 3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate.

Molecular Properties

Compound Name3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate
PubChem CID153312148
Molecular FormulaC18H26FNO5S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC Name3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate
SMILESCC(=O)OCCCS(=O)(=O)N[C@H](C)c1ccc(F)c(OC2CCCC2)c1
InChIInChI=1S/C18H26FNO5S/c1-13(20-26(22,23)11-5-10-24-14(2)21)15-8-9-17(19)18(12-15)25-16-6-3-4-7-16/h8-9,12-13,16,20H,3-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyAYYRJVRNEFDGSS-CYBMUJFWSA-N
XLogP3.08
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate
CID 139451649
5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide
CID 134541012
3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]sulfamoyl]propyl acetate
CID 155370300
(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)-N-methylethanamine
CID 142399949
5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide
CID 155346979
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146353456
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 70661422
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 146352863
N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide
CID 135198061
1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride
CID 155346993
5-amino-N-[1-(4-fluoro-3-prop-2-enoxyphenyl)ethyl]pentane-1-sulfonamide
CID 135186536
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 146228258

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate?
The IUPAC name of 3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate (CID 153312148) is 3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate.
What is the SMILES notation for 3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate?
The canonical SMILES for 3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate is CC(=O)OCCCS(=O)(=O)N[C@H](C)c1ccc(F)c(OC2CCCC2)c1.
What is the InChIKey of 3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate?
The InChIKey is AYYRJVRNEFDGSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26FNO5S/c1-13(20-26(22,23)11-5-10-24-14(2)21)15-8-9-17(19)18(12-15)25-16-6-3-4-7-16/h8-9,12-13,16,20H,3-7,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate?
3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate has a molecular weight of 387.47 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate is sourced from PubChem (CID 153312148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).