N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide

C24H27NO4S — CID 90518427

IUPACN-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27NO4S/c1-28-22-12-14-23(15-13-22)29-18-19-30(26,27)25-17-16-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24-25H,16-19H2,1H3
InChIKeyJPVXHQZAMJKWFI-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.22
Rot. Bonds11

About N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide

N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide (PubChem CID 90518427) has the molecular formula C24H27NO4S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide
PubChem CID90518427
Molecular FormulaC24H27NO4S
Molecular Weight425.55 g/mol
Exact Mass425.17
IUPAC NameN-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27NO4S/c1-28-22-12-14-23(15-13-22)29-18-19-30(26,27)25-17-16-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24-25H,16-19H2,1H3
InChIKeyJPVXHQZAMJKWFI-UHFFFAOYSA-N
XLogP4.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
N-(3,3-diphenylpropyl)-1-phenylmethanesulfonamide
CID 19680983
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97038625
N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide
CID 80506787
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518502
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide
CID 90518426
N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518568
2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324613
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide
CID 90518392

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide (CID 90518427) is N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide is COc1ccc(OCCS(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide?
The InChIKey is JPVXHQZAMJKWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4S/c1-28-22-12-14-23(15-13-22)29-18-19-30(26,27)25-17-16-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24-25H,16-19H2,1H3.
What are the key properties of N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide?
N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide has a molecular weight of 425.55 g/mol, XLogP of 4.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide is sourced from PubChem (CID 90518427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).