N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide

C15H23NO4S — CID 110308806

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide
SMILESCOc1ccc(C(O)CN(C)S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C15H23NO4S/c1-16(21(18,19)14-5-3-4-6-14)11-15(17)12-7-9-13(20-2)10-8-12/h7-10,14-15,17H,3-6,11H2,1-2H3
InChIKeyOXGLGZCNLHIPGA-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.93
Rot. Bonds6

About N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide (PubChem CID 110308806) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide
PubChem CID110308806
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide
SMILESCOc1ccc(C(O)CN(C)S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C15H23NO4S/c1-16(21(18,19)14-5-3-4-6-14)11-15(17)12-7-9-13(20-2)10-8-12/h7-10,14-15,17H,3-6,11H2,1-2H3
InChIKeyOXGLGZCNLHIPGA-UHFFFAOYSA-N
XLogP1.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide
CID 110291139
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520
4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291150
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
CID 110302059
5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 110291167
4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene
CID 110629765
2-[3-(dimethylamino)propyl-methylamino]-1-(4-methoxyphenyl)ethanol
CID 63698745
2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 54944684
2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64675196
2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60969080
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
CID 110302652
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide (CID 110308806) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide is COc1ccc(C(O)CN(C)S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide?
The InChIKey is OXGLGZCNLHIPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-16(21(18,19)14-5-3-4-6-14)11-15(17)12-7-9-13(20-2)10-8-12/h7-10,14-15,17H,3-6,11H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide is sourced from PubChem (CID 110308806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).