2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate

C24H30ClN3O3SSi — CID 142508747

IUPAC2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate
SMILESCN(CC[C@@H](Oc1cccc(-c2ccnc(Cl)n2)c1)c1cccs1)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C24H30ClN3O3SSi/c1-28(24(29)30-14-16-33(2,3)4)13-11-21(22-9-6-15-32-22)31-19-8-5-7-18(17-19)20-10-12-26-23(25)27-20/h5-10,12,15,17,21H,11,13-14,16H2,1-4H3/t21-/m1/s1
InChIKeyQRTMTHQQAWSDJD-OAQYLSRUSA-N
MW504.13 g/mol
LogP6.78
Rot. Bonds10

About 2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate

2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate (PubChem CID 142508747) has the molecular formula C24H30ClN3O3SSi and a molecular weight of 504.13 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate
PubChem CID142508747
Molecular FormulaC24H30ClN3O3SSi
Molecular Weight504.13 g/mol
Exact Mass503.15
IUPAC Name2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate
SMILESCN(CC[C@@H](Oc1cccc(-c2ccnc(Cl)n2)c1)c1cccs1)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C24H30ClN3O3SSi/c1-28(24(29)30-14-16-33(2,3)4)13-11-21(22-9-6-15-32-22)31-19-8-5-7-18(17-19)20-10-12-26-23(25)27-20/h5-10,12,15,17,21H,11,13-14,16H2,1-4H3/t21-/m1/s1
InChIKeyQRTMTHQQAWSDJD-OAQYLSRUSA-N
XLogP6.78
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.13
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate 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 2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate?
The IUPAC name of 2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate (CID 142508747) is 2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate is CN(CC[C@@H](Oc1cccc(-c2ccnc(Cl)n2)c1)c1cccs1)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate?
The InChIKey is QRTMTHQQAWSDJD-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30ClN3O3SSi/c1-28(24(29)30-14-16-33(2,3)4)13-11-21(22-9-6-15-32-22)31-19-8-5-7-18(17-19)20-10-12-26-23(25)27-20/h5-10,12,15,17,21H,11,13-14,16H2,1-4H3/t21-/m1/s1.
What are the key properties of 2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate?
2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate has a molecular weight of 504.13 g/mol, XLogP of 6.78, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(3R)-3-[3-(2-chloropyrimidin-4-yl)phenoxy]-3-thiophen-2-ylpropyl]-N-methylcarbamate is sourced from PubChem (CID 142508747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).