N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide

C22H37NO3S — CID 146353248

IUPACN-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCC(C)(C)C)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C22H37NO3S/c1-18(23-27(24,25)16-9-5-8-15-22(2,3)4)19-11-10-14-21(17-19)26-20-12-6-7-13-20/h10-11,14,17-18,20,23H,5-9,12-13,15-16H2,1-4H3/t18-/m1/s1
InChIKeyUVSTXXGFKBDBHZ-GOSISDBHSA-N
MW395.61 g/mol
LogP5.59
Rot. Bonds10

About N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide

N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide (PubChem CID 146353248) has the molecular formula C22H37NO3S and a molecular weight of 395.61 g/mol. Its IUPAC name is N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide
PubChem CID146353248
Molecular FormulaC22H37NO3S
Molecular Weight395.61 g/mol
Exact Mass395.25
IUPAC NameN-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCC(C)(C)C)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C22H37NO3S/c1-18(23-27(24,25)16-9-5-8-15-22(2,3)4)19-11-10-14-21(17-19)26-20-12-6-7-13-20/h10-11,14,17-18,20,23H,5-9,12-13,15-16H2,1-4H3/t18-/m1/s1
InChIKeyUVSTXXGFKBDBHZ-GOSISDBHSA-N
XLogP5.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.61
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide
CID 155346979
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 70661422
3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate
CID 139451649
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-(cyclopentylmethoxy)phenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146352828
N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 89127982
(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]-6,6-dimethylheptane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide (CID 146353248) is N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide is C[C@@H](NS(=O)(=O)CCCCCC(C)(C)C)c1cccc(OC2CCCC2)c1.
What is the InChIKey of N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide?
The InChIKey is UVSTXXGFKBDBHZ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H37NO3S/c1-18(23-27(24,25)16-9-5-8-15-22(2,3)4)19-11-10-14-21(17-19)26-20-12-6-7-13-20/h10-11,14,17-18,20,23H,5-9,12-13,15-16H2,1-4H3/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide?
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide has a molecular weight of 395.61 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide is sourced from PubChem (CID 146353248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).