3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide

C17H25NO3S2Si — CID 10362565

IUPAC3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide
SMILESCC(C)(C)[Si](C)(C)OC(c1ccccc1)c1ccsc1S(N)(=O)=O
InChIInChI=1S/C17H25NO3S2Si/c1-17(2,3)24(4,5)21-15(13-9-7-6-8-10-13)14-11-12-22-16(14)23(18,19)20/h6-12,15H,1-5H3,(H2,18,19,20)
InChIKeyAPJHGLLMCCASDY-UHFFFAOYSA-N
MW383.61 g/mol
LogP4.51
Rot. Bonds5

About 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide

3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide (PubChem CID 10362565) has the molecular formula C17H25NO3S2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide
PubChem CID10362565
Molecular FormulaC17H25NO3S2Si
Molecular Weight383.61 g/mol
Exact Mass383.10
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide
SMILESCC(C)(C)[Si](C)(C)OC(c1ccccc1)c1ccsc1S(N)(=O)=O
InChIInChI=1S/C17H25NO3S2Si/c1-17(2,3)24(4,5)21-15(13-9-7-6-8-10-13)14-11-12-22-16(14)23(18,19)20/h6-12,15H,1-5H3,(H2,18,19,20)
InChIKeyAPJHGLLMCCASDY-UHFFFAOYSA-N
XLogP4.51
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide
CID 140561234
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide
CID 10426239
tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
CID 15262613
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide
CID 19370784
[(1R,2S)-1-(4-bromo-1,3-thiazol-2-yl)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl] methanesulfonate
CID 11677606
5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide
CID 10790598
tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane
CID 100919695
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
CID 66693822
ethyl (E)-3-[2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-6-methyl-4-pyridinyl]prop-2-enoate
CID 56838749
[(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane
CID 15534325
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide (CID 10362565) is 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide is CC(C)(C)[Si](C)(C)OC(c1ccccc1)c1ccsc1S(N)(=O)=O.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide?
The InChIKey is APJHGLLMCCASDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S2Si/c1-17(2,3)24(4,5)21-15(13-9-7-6-8-10-13)14-11-12-22-16(14)23(18,19)20/h6-12,15H,1-5H3,(H2,18,19,20).
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide?
3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide has a molecular weight of 383.61 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 10362565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).