N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide

C20H33NO5S — CID 89127982

IUPACN-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide
SMILESCCC[C@@H](NS(=O)(=O)CCCOCOC)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H33NO5S/c1-3-8-20(21-27(22,23)14-7-13-25-16-24-2)17-9-6-12-19(15-17)26-18-10-4-5-11-18/h6,9,12,15,18,20-21H,3-5,7-8,10-11,13-14,16H2,1-2H3/t20-/m1/s1
InChIKeyCSIJBNRHIBSLBK-HXUWFJFHSA-N
MW399.55 g/mol
LogP3.78
Rot. Bonds13

About N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide

N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide (PubChem CID 89127982) has the molecular formula C20H33NO5S and a molecular weight of 399.55 g/mol. Its IUPAC name is N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide
PubChem CID89127982
Molecular FormulaC20H33NO5S
Molecular Weight399.55 g/mol
Exact Mass399.21
IUPAC NameN-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide
SMILESCCC[C@@H](NS(=O)(=O)CCCOCOC)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H33NO5S/c1-3-8-20(21-27(22,23)14-7-13-25-16-24-2)17-9-6-12-19(15-17)26-18-10-4-5-11-18/h6,9,12,15,18,20-21H,3-5,7-8,10-11,13-14,16H2,1-2H3/t20-/m1/s1
InChIKeyCSIJBNRHIBSLBK-HXUWFJFHSA-N
XLogP3.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 70661422
3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide
CID 70661427
3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate
CID 139451649
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide
CID 146353248
5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide
CID 155346979
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]butyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide
CID 146353091
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide
CID 53233948
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
N-[(1R)-1-[3-(cyclopentylmethoxy)phenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146352828

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide (CID 89127982) is N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide is CCC[C@@H](NS(=O)(=O)CCCOCOC)c1cccc(OC2CCCC2)c1.
What is the InChIKey of N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide?
The InChIKey is CSIJBNRHIBSLBK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H33NO5S/c1-3-8-20(21-27(22,23)14-7-13-25-16-24-2)17-9-6-12-19(15-17)26-18-10-4-5-11-18/h6,9,12,15,18,20-21H,3-5,7-8,10-11,13-14,16H2,1-2H3/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide?
N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide has a molecular weight of 399.55 g/mol, XLogP of 3.78, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide is sourced from PubChem (CID 89127982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).