N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide

C28H47NO4S2Si2 — CID 69416865

IUPACN-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CCC(NS(=O)(=O)c3cccs3)CC2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C28H47NO4S2Si2/c1-27(2,3)36(7,8)32-23-17-18-24(25(20-23)33-37(9,10)28(4,5)6)21-13-15-22(16-14-21)29-35(30,31)26-12-11-19-34-26/h11-12,17-22,29H,13-16H2,1-10H3
InChIKeyCYPPRABLOOSUKO-UHFFFAOYSA-N
MW581.99 g/mol
LogP8.52
Rot. Bonds8

About N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide

N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide (PubChem CID 69416865) has the molecular formula C28H47NO4S2Si2 and a molecular weight of 581.99 g/mol. Its IUPAC name is N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide
PubChem CID69416865
Molecular FormulaC28H47NO4S2Si2
Molecular Weight581.99 g/mol
Exact Mass581.25
IUPAC NameN-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CCC(NS(=O)(=O)c3cccs3)CC2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C28H47NO4S2Si2/c1-27(2,3)36(7,8)32-23-17-18-24(25(20-23)33-37(9,10)28(4,5)6)21-13-15-22(16-14-21)29-35(30,31)26-12-11-19-34-26/h11-12,17-22,29H,13-16H2,1-10H3
InChIKeyCYPPRABLOOSUKO-UHFFFAOYSA-N
XLogP8.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.99
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide (CID 69416865) is N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide is CC(C)(C)[Si](C)(C)Oc1ccc(C2CCC(NS(=O)(=O)c3cccs3)CC2)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide?
The InChIKey is CYPPRABLOOSUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47NO4S2Si2/c1-27(2,3)36(7,8)32-23-17-18-24(25(20-23)33-37(9,10)28(4,5)6)21-13-15-22(16-14-21)29-35(30,31)26-12-11-19-34-26/h11-12,17-22,29H,13-16H2,1-10H3.
What are the key properties of N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide?
N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide has a molecular weight of 581.99 g/mol, XLogP of 8.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]thiophene-2-sulfonamide is sourced from PubChem (CID 69416865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).