N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C22H15F3N2O3S2 — CID 71819015

IUPACN-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C22H15F3N2O3S2/c23-22(24,25)16-2-1-3-18(11-16)32(29,30)17-6-4-14(5-7-17)12-27-21(28)19-10-15-8-9-26-13-20(15)31-19/h1-11,13H,12H2,(H,27,28)
InChIKeyKUAXHKHHCNKNKY-UHFFFAOYSA-N
MW476.50 g/mol
LogP5.08
Rot. Bonds5

About N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 71819015) has the molecular formula C22H15F3N2O3S2 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID71819015
Molecular FormulaC22H15F3N2O3S2
Molecular Weight476.50 g/mol
Exact Mass476.05
IUPAC NameN-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C22H15F3N2O3S2/c23-22(24,25)16-2-1-3-18(11-16)32(29,30)17-6-4-14(5-7-17)12-27-21(28)19-10-15-8-9-26-13-20(15)31-19/h1-11,13H,12H2,(H,27,28)
InChIKeyKUAXHKHHCNKNKY-UHFFFAOYSA-N
XLogP5.08
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

A-205804
CID 9839311
4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxylic acid methoxy-amide
CID 9797597
4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxylic acid methoxy-methyl-amide
CID 9798233
4-(2,4-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9858022
4-m-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9922373
4-(Phenylthio)thieno[2,3-c]pyridine-2-carboxamide
CID 9965679
4-[[4-(Trifluoromethyl)phenyl]thio]thieno[2,3-c]pyridine-2-carboxamide
CID 9968489
4-(3,4-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 10267771
N-(4-(phenylsulfonyl)benzyl)thieno[2,3-c]pyridine-2-carboxamide
CID 66610527
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 66613704
N-(4-(piperidin-1-ylsulfonyl)benzyl)thieno[2,3-c]pyridine-2-carboxamide
CID 68090877
N-[4-(1-benzoylpiperidin-4-yl)butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983109

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 71819015) is N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cc2ccncc2s1.
What is the InChIKey of N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is KUAXHKHHCNKNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O3S2/c23-22(24,25)16-2-1-3-18(11-16)32(29,30)17-6-4-14(5-7-17)12-27-21(28)19-10-15-8-9-26-13-20(15)31-19/h1-11,13H,12H2,(H,27,28).
What are the key properties of N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71819015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).