[(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane

C34H37NO3S2Si — CID 174687359

IUPAC[(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCC[C@@H](c1cccs1)c1cccn1S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37NO3S2Si/c1-34(2,3)41(29-18-9-5-10-19-29,30-20-11-6-12-21-30)38-26-14-22-31(33-24-15-27-39-33)32-23-13-25-35(32)40(36,37)28-16-7-4-8-17-28/h4-13,15-21,23-25,27,31H,14,22,26H2,1-3H3/t31-/m1/s1
InChIKeyYGAKJORSCUFXME-WJOKGBTCSA-N
MW599.89 g/mol
LogP7.28
Rot. Bonds11

About [(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane

[(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane (PubChem CID 174687359) has the molecular formula C34H37NO3S2Si and a molecular weight of 599.89 g/mol. Its IUPAC name is [(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane
PubChem CID174687359
Molecular FormulaC34H37NO3S2Si
Molecular Weight599.89 g/mol
Exact Mass599.20
IUPAC Name[(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCC[C@@H](c1cccs1)c1cccn1S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37NO3S2Si/c1-34(2,3)41(29-18-9-5-10-19-29,30-20-11-6-12-21-30)38-26-14-22-31(33-24-15-27-39-33)32-23-13-25-35(32)40(36,37)28-16-7-4-8-17-28/h4-13,15-21,23-25,27,31H,14,22,26H2,1-3H3/t31-/m1/s1
InChIKeyYGAKJORSCUFXME-WJOKGBTCSA-N
XLogP7.28
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.89
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane
CID 25117682
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
[6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-yl] 4-methylbenzenesulfonate
CID 59759753
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane
CID 10578797
3-[tert-butyl(diphenyl)silyl]oxypropyl 4-methylbenzenesulfonate
CID 14616924
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
CID 11003481
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane (CID 174687359) is [(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCC[C@@H](c1cccs1)c1cccn1S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane?
The InChIKey is YGAKJORSCUFXME-WJOKGBTCSA-N. The full InChI is InChI=1S/C34H37NO3S2Si/c1-34(2,3)41(29-18-9-5-10-19-29,30-20-11-6-12-21-30)38-26-14-22-31(33-24-15-27-39-33)32-23-13-25-35(32)40(36,37)28-16-7-4-8-17-28/h4-13,15-21,23-25,27,31H,14,22,26H2,1-3H3/t31-/m1/s1.
What are the key properties of [(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane?
[(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane has a molecular weight of 599.89 g/mol, XLogP of 7.28, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 174687359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).