N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide

C25H39NO5SSi — CID 57220170

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide
SMILESCOc1cc(C(=O)NCC(CCO[Si](C)(C)C(C)(C)C)c2cccs2)c(C)c(OC)c1OC
InChIInChI=1S/C25H39NO5SSi/c1-17-19(15-20(28-5)23(30-7)22(17)29-6)24(27)26-16-18(21-11-10-14-32-21)12-13-31-33(8,9)25(2,3)4/h10-11,14-15,18H,12-13,16H2,1-9H3,(H,26,27)
InChIKeyMOOKAEWOXXXZPO-UHFFFAOYSA-N
MW493.74 g/mol
LogP6.01
Rot. Bonds11

About N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide

N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide (PubChem CID 57220170) has the molecular formula C25H39NO5SSi and a molecular weight of 493.74 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide
PubChem CID57220170
Molecular FormulaC25H39NO5SSi
Molecular Weight493.74 g/mol
Exact Mass493.23
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide
SMILESCOc1cc(C(=O)NCC(CCO[Si](C)(C)C(C)(C)C)c2cccs2)c(C)c(OC)c1OC
InChIInChI=1S/C25H39NO5SSi/c1-17-19(15-20(28-5)23(30-7)22(17)29-6)24(27)26-16-18(21-11-10-14-32-21)12-13-31-33(8,9)25(2,3)4/h10-11,14-15,18H,12-13,16H2,1-9H3,(H,26,27)
InChIKeyMOOKAEWOXXXZPO-UHFFFAOYSA-N
XLogP6.01
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.74
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61093193
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 30834319
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3,4,5-trimethoxybenzamide
CID 122264715
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260
3,4,5-trimethoxy-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 9094127
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 31288260
3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17014085

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide (CID 57220170) is N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide is COc1cc(C(=O)NCC(CCO[Si](C)(C)C(C)(C)C)c2cccs2)c(C)c(OC)c1OC.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide?
The InChIKey is MOOKAEWOXXXZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO5SSi/c1-17-19(15-20(28-5)23(30-7)22(17)29-6)24(27)26-16-18(21-11-10-14-32-21)12-13-31-33(8,9)25(2,3)4/h10-11,14-15,18H,12-13,16H2,1-9H3,(H,26,27).
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide?
N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide has a molecular weight of 493.74 g/mol, XLogP of 6.01, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide is sourced from PubChem (CID 57220170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).