4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide

C24H30ClN3O2SSi — CID 69226388

IUPAC4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccc(-c2csc(C(N)=O)c2-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H30ClN3O2SSi/c1-24(2,3)32(4,5)30-13-12-27-18-9-6-16(7-10-18)19-15-31-22(23(26)29)21(19)20-11-8-17(25)14-28-20/h6-11,14-15,27H,12-13H2,1-5H3,(H2,26,29)
InChIKeyITJHUUVSILOFFU-UHFFFAOYSA-N
MW488.13 g/mol
LogP6.66
Rot. Bonds8

About 4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide

4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 69226388) has the molecular formula C24H30ClN3O2SSi and a molecular weight of 488.13 g/mol. Its IUPAC name is 4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
PubChem CID69226388
Molecular FormulaC24H30ClN3O2SSi
Molecular Weight488.13 g/mol
Exact Mass487.15
IUPAC Name4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccc(-c2csc(C(N)=O)c2-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H30ClN3O2SSi/c1-24(2,3)32(4,5)30-13-12-27-18-9-6-16(7-10-18)19-15-31-22(23(26)29)21(19)20-11-8-17(25)14-28-20/h6-11,14-15,27H,12-13H2,1-5H3,(H2,26,29)
InChIKeyITJHUUVSILOFFU-UHFFFAOYSA-N
XLogP6.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.13
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide (CID 69226388) is 4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide is CC(C)(C)[Si](C)(C)OCCNc1ccc(-c2csc(C(N)=O)c2-c2ccc(Cl)cn2)cc1.
What is the InChIKey of 4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is ITJHUUVSILOFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2SSi/c1-24(2,3)32(4,5)30-13-12-27-18-9-6-16(7-10-18)19-15-31-22(23(26)29)21(19)20-11-8-17(25)14-28-20/h6-11,14-15,27H,12-13H2,1-5H3,(H2,26,29).
What are the key properties of 4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 488.13 g/mol, XLogP of 6.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-(5-chloro-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 69226388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).