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

C18H29NO5S — CID 70661422

IUPACN-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide
SMILESCOCOCCCS(=O)(=O)N[C@H](C)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H29NO5S/c1-15(19-25(20,21)12-6-11-23-14-22-2)16-7-5-10-18(13-16)24-17-8-3-4-9-17/h5,7,10,13,15,17,19H,3-4,6,8-9,11-12,14H2,1-2H3/t15-/m1/s1
InChIKeyXCLNMPFPUFBWAP-OAHLLOKOSA-N
MW371.50 g/mol
LogP3.00
Rot. Bonds11

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

N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide (PubChem CID 70661422) has the molecular formula C18H29NO5S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide
PubChem CID70661422
Molecular FormulaC18H29NO5S
Molecular Weight371.50 g/mol
Exact Mass371.18
IUPAC NameN-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide
SMILESCOCOCCCS(=O)(=O)N[C@H](C)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H29NO5S/c1-15(19-25(20,21)12-6-11-23-14-22-2)16-7-5-10-18(13-16)24-17-8-3-4-9-17/h5,7,10,13,15,17,19H,3-4,6,8-9,11-12,14H2,1-2H3/t15-/m1/s1
InChIKeyXCLNMPFPUFBWAP-OAHLLOKOSA-N
XLogP3.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 53.00
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

3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide
CID 70661427
N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 89127982
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
N-[(1R)-1-[3-(cyclopentylmethoxy)phenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146352828
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide
CID 53233948
(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
3-(2,2-dimethylpropoxy)-N-[(1R)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]propane-1-sulfonamide
CID 146352787

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide (CID 70661422) is N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide is COCOCCCS(=O)(=O)N[C@H](C)c1cccc(OC2CCCC2)c1.
What is the InChIKey of N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide?
The InChIKey is XCLNMPFPUFBWAP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29NO5S/c1-15(19-25(20,21)12-6-11-23-14-22-2)16-7-5-10-18(13-16)24-17-8-3-4-9-17/h5,7,10,13,15,17,19H,3-4,6,8-9,11-12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide?
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide has a molecular weight of 371.50 g/mol, XLogP of 3.00, 11 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)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide is sourced from PubChem (CID 70661422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).