5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide

C24H16Cl3F3N8O2S — CID 142564250

IUPAC5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cn1c(-c2ccc(Cl)cc2)nn(Cc2ncn(-c3ncccc3Cl)n2)c1=O)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C24H16Cl3F3N8O2S/c25-14-5-3-13(4-6-14)20-35-37(11-19-32-12-38(34-19)21-15(26)2-1-9-31-21)23(40)36(20)10-17(24(28,29)30)33-22(39)16-7-8-18(27)41-16/h1-9,12,17H,10-11H2,(H,33,39)
InChIKeyUWTHWMLQZNPELF-UHFFFAOYSA-N
MW643.87 g/mol
LogP5.12
Rot. Bonds8

About 5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide

5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide (PubChem CID 142564250) has the molecular formula C24H16Cl3F3N8O2S and a molecular weight of 643.87 g/mol. Its IUPAC name is 5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide
PubChem CID142564250
Molecular FormulaC24H16Cl3F3N8O2S
Molecular Weight643.87 g/mol
Exact Mass642.01
IUPAC Name5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cn1c(-c2ccc(Cl)cc2)nn(Cc2ncn(-c3ncccc3Cl)n2)c1=O)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C24H16Cl3F3N8O2S/c25-14-5-3-13(4-6-14)20-35-37(11-19-32-12-38(34-19)21-15(26)2-1-9-31-21)23(40)36(20)10-17(24(28,29)30)33-22(39)16-7-8-18(27)41-16/h1-9,12,17H,10-11H2,(H,33,39)
InChIKeyUWTHWMLQZNPELF-UHFFFAOYSA-N
XLogP5.12
TPSA112.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.87
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]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 5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide (CID 142564250) is 5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide is O=C(NC(Cn1c(-c2ccc(Cl)cc2)nn(Cc2ncn(-c3ncccc3Cl)n2)c1=O)C(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide?
The InChIKey is UWTHWMLQZNPELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl3F3N8O2S/c25-14-5-3-13(4-6-14)20-35-37(11-19-32-12-38(34-19)21-15(26)2-1-9-31-21)23(40)36(20)10-17(24(28,29)30)33-22(39)16-7-8-18(27)41-16/h1-9,12,17H,10-11H2,(H,33,39).
What are the key properties of 5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide?
5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide has a molecular weight of 643.87 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[3-(4-chlorophenyl)-1-[[1-(3-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-5-oxo-1,2,4-triazol-4-yl]-1,1,1-trifluoropropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 142564250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).