3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate

C18H27NO5S — CID 139451649

IUPAC3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate
SMILESCC(=O)OCCCS(=O)(=O)N[C@H](C)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H27NO5S/c1-14(19-25(21,22)12-6-11-23-15(2)20)16-7-5-10-18(13-16)24-17-8-3-4-9-17/h5,7,10,13-14,17,19H,3-4,6,8-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyZXQIEZFEQMFBAV-CQSZACIVSA-N
MW369.48 g/mol
LogP2.94
Rot. Bonds9

About 3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate

3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate (PubChem CID 139451649) has the molecular formula C18H27NO5S and a molecular weight of 369.48 g/mol. Its IUPAC name is 3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate.

Molecular Properties

Compound Name3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate
PubChem CID139451649
Molecular FormulaC18H27NO5S
Molecular Weight369.48 g/mol
Exact Mass369.16
IUPAC Name3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate
SMILESCC(=O)OCCCS(=O)(=O)N[C@H](C)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H27NO5S/c1-14(19-25(21,22)12-6-11-23-15(2)20)16-7-5-10-18(13-16)24-17-8-3-4-9-17/h5,7,10,13-14,17,19H,3-4,6,8-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyZXQIEZFEQMFBAV-CQSZACIVSA-N
XLogP2.94
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.94
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

N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 70661422
5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide
CID 155346979
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide
CID 146353248
3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate
CID 153312148
3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide
CID 70661427
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide
CID 53233948
N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 89127982
N-[(1R)-1-[3-(cyclopentylmethoxy)phenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146352828
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine
CID 132649569
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate?
The IUPAC name of 3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate (CID 139451649) is 3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate.
What is the SMILES notation for 3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate?
The canonical SMILES for 3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate is CC(=O)OCCCS(=O)(=O)N[C@H](C)c1cccc(OC2CCCC2)c1.
What is the InChIKey of 3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate?
The InChIKey is ZXQIEZFEQMFBAV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27NO5S/c1-14(19-25(21,22)12-6-11-23-15(2)20)16-7-5-10-18(13-16)24-17-8-3-4-9-17/h5,7,10,13-14,17,19H,3-4,6,8-9,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate?
3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate has a molecular weight of 369.48 g/mol, XLogP of 2.94, 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-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate is sourced from PubChem (CID 139451649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).