CID 167358992

C24H29F3NO3SSi — CID 167358992

IUPAC—
SMILESCC(C)c1cc(C(F)F)cc(C(C)C)c1CC(=O)N=[S@](=O)([Si])c1ccc(C(C)(C)O)cc1F
InChIInChI=1S/C24H29F3NO3SSi/c1-13(2)17-9-15(23(26)27)10-18(14(3)4)19(17)12-22(29)28-32(31,33)21-8-7-16(11-20(21)25)24(5,6)30/h7-11,13-14,23,30H,12H2,1-6H3/t32-/m1/s1
InChIKeyWNTIQONFKQTHFA-JGCGQSQUSA-N
MW496.65 g/mol
LogP5.92
Rot. Bonds7

About CID 167358992

CID 167358992 (PubChem CID 167358992) has the molecular formula C24H29F3NO3SSi and a molecular weight of 496.65 g/mol.

Molecular Properties

Compound NameCID 167358992
PubChem CID167358992
Molecular FormulaC24H29F3NO3SSi
Molecular Weight496.65 g/mol
Exact Mass496.16
IUPAC Name—
SMILESCC(C)c1cc(C(F)F)cc(C(C)C)c1CC(=O)N=[S@](=O)([Si])c1ccc(C(C)(C)O)cc1F
InChIInChI=1S/C24H29F3NO3SSi/c1-13(2)17-9-15(23(26)27)10-18(14(3)4)19(17)12-22(29)28-32(31,33)21-8-7-16(11-20(21)25)24(5,6)30/h7-11,13-14,23,30H,12H2,1-6H3/t32-/m1/s1
InChIKeyWNTIQONFKQTHFA-JGCGQSQUSA-N
XLogP5.92
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[amino-[2-fluoro-4-(2-methylpropyl)phenyl]-oxo-λ6-sulfanylidene]-2-[4-(difluoromethyl)-2,6-di(propan-2-yl)phenyl]acetamide
CID 167358956
N-[amino-[4-[(dimethylamino)methyl]-2-fluorophenyl]-oxo-λ6-sulfanylidene]-2-[4-(difluoromethyl)-2-ethyl-6-propan-2-ylphenyl]acetamide
CID 166008801
N-[amino-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]-2-[2-cyclopropyl-4-(difluoromethoxy)-6-propan-2-ylphenyl]acetamide
CID 159165921
2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol
CID 84672129
2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 170112817
N-[amino-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]-2-[4-(methoxymethyl)-2,6-di(propan-2-yl)phenyl]acetamide;sulfane
CID 160930853
N-[amino-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]-2-[8-(difluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]acetamide
CID 161279477
N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 138574785
2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide
CID 155464161
N-[amino-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]-2-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 159859678
N-[amino-[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-oxo-λ6-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide
CID 159393020
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide
CID 153389582

Frequently Asked Questions

What is the IUPAC name of CID 167358992?
The IUPAC name of CID 167358992 (CID 167358992) is not available.
What is the SMILES notation for CID 167358992?
The canonical SMILES for CID 167358992 is CC(C)c1cc(C(F)F)cc(C(C)C)c1CC(=O)N=[S@](=O)([Si])c1ccc(C(C)(C)O)cc1F.
What is the InChIKey of CID 167358992?
The InChIKey is WNTIQONFKQTHFA-JGCGQSQUSA-N. The full InChI is InChI=1S/C24H29F3NO3SSi/c1-13(2)17-9-15(23(26)27)10-18(14(3)4)19(17)12-22(29)28-32(31,33)21-8-7-16(11-20(21)25)24(5,6)30/h7-11,13-14,23,30H,12H2,1-6H3/t32-/m1/s1.
What are the key properties of CID 167358992?
CID 167358992 has a molecular weight of 496.65 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167358992 is sourced from PubChem (CID 167358992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).