N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C21H14F2N2O3S2 — CID 71818876

IUPACN-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C21H14F2N2O3S2/c22-15-8-16(23)10-18(9-15)30(27,28)17-3-1-13(2-4-17)11-25-21(26)19-7-14-5-6-24-12-20(14)29-19/h1-10,12H,11H2,(H,25,26)
InChIKeySPEDSRLUCDXEQJ-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.34
Rot. Bonds5

About N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 71818876) has the molecular formula C21H14F2N2O3S2 and a molecular weight of 444.48 g/mol. Its IUPAC name is N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID71818876
Molecular FormulaC21H14F2N2O3S2
Molecular Weight444.48 g/mol
Exact Mass444.04
IUPAC NameN-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C21H14F2N2O3S2/c22-15-8-16(23)10-18(9-15)30(27,28)17-3-1-13(2-4-17)11-25-21(26)19-7-14-5-6-24-12-20(14)29-19/h1-10,12H,11H2,(H,25,26)
InChIKeySPEDSRLUCDXEQJ-UHFFFAOYSA-N
XLogP4.34
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 71818876) is N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1cc2ccncc2s1.
What is the InChIKey of N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is SPEDSRLUCDXEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O3S2/c22-15-8-16(23)10-18(9-15)30(27,28)17-3-1-13(2-4-17)11-25-21(26)19-7-14-5-6-24-12-20(14)29-19/h1-10,12H,11H2,(H,25,26).
What are the key properties of N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 444.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71818876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).