N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide

C29H55NO5SSi — CID 171471403

IUPACN-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1
InChIInChI=1S/C29H55NO5SSi/c1-29(2,3)37(4,5)35-24-23-34-22-21-33-20-19-32-18-15-13-11-9-7-6-8-10-12-14-17-30-28(31)27-16-25-36-26-27/h16,25-26H,6-15,17-24H2,1-5H3,(H,30,31)
InChIKeyNQDWCGPMTMYRAU-UHFFFAOYSA-N
MW557.91 g/mol
LogP7.45
Rot. Bonds24

About N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide

N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide (PubChem CID 171471403) has the molecular formula C29H55NO5SSi and a molecular weight of 557.91 g/mol. Its IUPAC name is N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
PubChem CID171471403
Molecular FormulaC29H55NO5SSi
Molecular Weight557.91 g/mol
Exact Mass557.36
IUPAC NameN-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1
InChIInChI=1S/C29H55NO5SSi/c1-29(2,3)37(4,5)35-24-23-34-22-21-33-20-19-32-18-15-13-11-9-7-6-8-10-12-14-17-30-28(31)27-16-25-36-26-27/h16,25-26H,6-15,17-24H2,1-5H3,(H,30,31)
InChIKeyNQDWCGPMTMYRAU-UHFFFAOYSA-N
XLogP7.45
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.91
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[9-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]nonyl]thiophene-3-carboxamide
CID 171471382
N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide
CID 106307182
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3-(2-methoxyethoxy)propyl]pentane-1,5-diamine
CID 158707795
2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
CID 86913899
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide
CID 22006893
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide
CID 134957452
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18161073
tert-butyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-dimethylsilane
CID 91694118

Frequently Asked Questions

What is the IUPAC name of N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The IUPAC name of N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide (CID 171471403) is N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The canonical SMILES for N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide is CC(C)(C)[Si](C)(C)OCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1.
What is the InChIKey of N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The InChIKey is NQDWCGPMTMYRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55NO5SSi/c1-29(2,3)37(4,5)35-24-23-34-22-21-33-20-19-32-18-15-13-11-9-7-6-8-10-12-14-17-30-28(31)27-16-25-36-26-27/h16,25-26H,6-15,17-24H2,1-5H3,(H,30,31).
What are the key properties of N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide has a molecular weight of 557.91 g/mol, XLogP of 7.45, 24 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide is sourced from PubChem (CID 171471403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).