N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide

C18H24N2O4SSi — CID 134959271

IUPACN-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2cc3c(c([Si](C)(C)C)c2)COC3)cc1NS(C)(=O)=O
InChIInChI=1S/C18H24N2O4SSi/c1-23-18-16(20-25(2,21)22)7-13(9-19-18)12-6-14-10-24-11-15(14)17(8-12)26(3,4)5/h6-9,20H,10-11H2,1-5H3
InChIKeyVYQDHPAEKIUVEL-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.70
Rot. Bonds5

About N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 134959271) has the molecular formula C18H24N2O4SSi and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide
PubChem CID134959271
Molecular FormulaC18H24N2O4SSi
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2cc3c(c([Si](C)(C)C)c2)COC3)cc1NS(C)(=O)=O
InChIInChI=1S/C18H24N2O4SSi/c1-23-18-16(20-25(2,21)22)7-13(9-19-18)12-6-14-10-24-11-15(14)17(8-12)26(3,4)5/h6-9,20H,10-11H2,1-5H3
InChIKeyVYQDHPAEKIUVEL-UHFFFAOYSA-N
XLogP2.70
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide
CID 155541900
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 155566309
2-methoxy-N-[2-methoxy-5-[7-[[(2R)-4-propan-2-ylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide
CID 155565771
N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 145382884
N-(5-isoquinolin-7-yl-2-methoxy-3-pyridinyl)methanesulfonamide
CID 155512208
azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide
CID 175114352
N-[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
CID 169228387
N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]methanesulfonamide
CID 90042326
N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 145382824
N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 155513615
N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122502494
N-[5-[6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1-oxoisoindol-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 162624741

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide (CID 134959271) is N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide is COc1ncc(-c2cc3c(c([Si](C)(C)C)c2)COC3)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide?
The InChIKey is VYQDHPAEKIUVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4SSi/c1-23-18-16(20-25(2,21)22)7-13(9-19-18)12-6-14-10-24-11-15(14)17(8-12)26(3,4)5/h6-9,20H,10-11H2,1-5H3.
What are the key properties of N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 392.55 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 134959271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).