tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate

C24H27F3N4O4S2 — CID 67157254

IUPACtert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nccc3sc(S(=O)(=O)NCc4ccc(C(F)(F)F)cc4)cc23)CC1
InChIInChI=1S/C24H27F3N4O4S2/c1-23(2,3)35-22(32)31-12-10-30(11-13-31)21-18-14-20(36-19(18)8-9-28-21)37(33,34)29-15-16-4-6-17(7-5-16)24(25,26)27/h4-9,14,29H,10-13,15H2,1-3H3
InChIKeyPABOXEOXABZGOR-UHFFFAOYSA-N
MW556.63 g/mol
LogP4.85
Rot. Bonds5

About tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate

tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate (PubChem CID 67157254) has the molecular formula C24H27F3N4O4S2 and a molecular weight of 556.63 g/mol. Its IUPAC name is tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate
PubChem CID67157254
Molecular FormulaC24H27F3N4O4S2
Molecular Weight556.63 g/mol
Exact Mass556.14
IUPAC Nametert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nccc3sc(S(=O)(=O)NCc4ccc(C(F)(F)F)cc4)cc23)CC1
InChIInChI=1S/C24H27F3N4O4S2/c1-23(2,3)35-22(32)31-12-10-30(11-13-31)21-18-14-20(36-19(18)8-9-28-21)37(33,34)29-15-16-4-6-17(7-5-16)24(25,26)27/h4-9,14,29H,10-13,15H2,1-3H3
InChIKeyPABOXEOXABZGOR-UHFFFAOYSA-N
XLogP4.85
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.63
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate 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 tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate (CID 67157254) is tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2nccc3sc(S(=O)(=O)NCc4ccc(C(F)(F)F)cc4)cc23)CC1.
What is the InChIKey of tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate?
The InChIKey is PABOXEOXABZGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O4S2/c1-23(2,3)35-22(32)31-12-10-30(11-13-31)21-18-14-20(36-19(18)8-9-28-21)37(33,34)29-15-16-4-6-17(7-5-16)24(25,26)27/h4-9,14,29H,10-13,15H2,1-3H3.
What are the key properties of tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate?
tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate has a molecular weight of 556.63 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 67157254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).