2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide

C24H35NOSSi — CID 101376994

IUPAC2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide
SMILESCC(C)N(C(=O)c1c(Sc2ccccc2)cccc1[C@@H](C)[Si](C)(C)C)C(C)C
InChIInChI=1S/C24H35NOSSi/c1-17(2)25(18(3)4)24(26)23-21(19(5)28(6,7)8)15-12-16-22(23)27-20-13-10-9-11-14-20/h9-19H,1-8H3/t19-/m1/s1
InChIKeyGNQOVYSKCCKHSJ-LJQANCHMSA-N
MW413.70 g/mol
LogP7.08
Rot. Bonds7

About 2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide

2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide (PubChem CID 101376994) has the molecular formula C24H35NOSSi and a molecular weight of 413.70 g/mol. Its IUPAC name is 2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide
PubChem CID101376994
Molecular FormulaC24H35NOSSi
Molecular Weight413.70 g/mol
Exact Mass413.22
IUPAC Name2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide
SMILESCC(C)N(C(=O)c1c(Sc2ccccc2)cccc1[C@@H](C)[Si](C)(C)C)C(C)C
InChIInChI=1S/C24H35NOSSi/c1-17(2)25(18(3)4)24(26)23-21(19(5)28(6,7)8)15-12-16-22(23)27-20-13-10-9-11-14-20/h9-19H,1-8H3/t19-/m1/s1
InChIKeyGNQOVYSKCCKHSJ-LJQANCHMSA-N
XLogP7.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.70
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide?
The IUPAC name of 2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide (CID 101376994) is 2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide.
What is the SMILES notation for 2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide?
The canonical SMILES for 2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide is CC(C)N(C(=O)c1c(Sc2ccccc2)cccc1[C@@H](C)[Si](C)(C)C)C(C)C.
What is the InChIKey of 2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide?
The InChIKey is GNQOVYSKCCKHSJ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H35NOSSi/c1-17(2)25(18(3)4)24(26)23-21(19(5)28(6,7)8)15-12-16-22(23)27-20-13-10-9-11-14-20/h9-19H,1-8H3/t19-/m1/s1.
What are the key properties of 2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide?
2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide has a molecular weight of 413.70 g/mol, XLogP of 7.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N,N-di(propan-2-yl)-6-[(1R)-1-trimethylsilylethyl]benzamide is sourced from PubChem (CID 101376994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).