4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide

C41H68N2O7S2 — CID 18737843

IUPAC4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide
SMILESCCCCCCCCOCCOCCOCCOCCOCCSCc1ccc(S(=O)(=O)Nc2ccc(CC3CC(C)(C)NC(C)(C)C3)cc2)cc1
InChIInChI=1S/C41H68N2O7S2/c1-6-7-8-9-10-11-20-46-21-22-47-23-24-48-25-26-49-27-28-50-29-30-51-34-36-14-18-39(19-15-36)52(44,45)42-38-16-12-35(13-17-38)31-37-32-40(2,3)43-41(4,5)33-37/h12-19,37,42-43H,6-11,20-34H2,1-5H3
InChIKeyDTCQQTUPCFWHGW-UHFFFAOYSA-N
MW765.14 g/mol
LogP8.26
Rot. Bonds29

About 4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide

4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 18737843) has the molecular formula C41H68N2O7S2 and a molecular weight of 765.14 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide
PubChem CID18737843
Molecular FormulaC41H68N2O7S2
Molecular Weight765.14 g/mol
Exact Mass764.45
IUPAC Name4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide
SMILESCCCCCCCCOCCOCCOCCOCCOCCSCc1ccc(S(=O)(=O)Nc2ccc(CC3CC(C)(C)NC(C)(C)C3)cc2)cc1
InChIInChI=1S/C41H68N2O7S2/c1-6-7-8-9-10-11-20-46-21-22-47-23-24-48-25-26-49-27-28-50-29-30-51-34-36-14-18-39(19-15-36)52(44,45)42-38-16-12-35(13-17-38)31-37-32-40(2,3)43-41(4,5)33-37/h12-19,37,42-43H,6-11,20-34H2,1-5H3
InChIKeyDTCQQTUPCFWHGW-UHFFFAOYSA-N
XLogP8.26
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds29
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.14
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[[2,4-dimethyl-3-[[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetyl]amino]phenyl]sulfonylamino]phenyl]hydrazinyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 22942936
4-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 700216
octadecyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate
CID 19594257
N-[4-[(4-butoxyphenyl)methylsulfanyl]phenyl]-4-methylbenzenesulfonamide
CID 141122630
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
CID 18515517
N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide
CID 23387049
4-nitro-N-(4-pentoxyphenyl)benzenesulfonamide
CID 19169192
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate
CID 2249987
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 17498159

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide (CID 18737843) is 4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide is CCCCCCCCOCCOCCOCCOCCOCCSCc1ccc(S(=O)(=O)Nc2ccc(CC3CC(C)(C)NC(C)(C)C3)cc2)cc1.
What is the InChIKey of 4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is DTCQQTUPCFWHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H68N2O7S2/c1-6-7-8-9-10-11-20-46-21-22-47-23-24-48-25-26-49-27-28-50-29-30-51-34-36-14-18-39(19-15-36)52(44,45)42-38-16-12-35(13-17-38)31-37-32-40(2,3)43-41(4,5)33-37/h12-19,37,42-43H,6-11,20-34H2,1-5H3.
What are the key properties of 4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide?
4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 765.14 g/mol, XLogP of 8.26, 29 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-N-[4-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 18737843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).