N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C21H16F2N4O3S2 — CID 118193584

IUPACN-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(F)(F)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)nc2)cn1
InChIInChI=1S/C21H16F2N4O3S2/c1-21(22,23)19-5-4-16(11-26-19)32(29,30)15-3-2-14(25-10-15)9-27-20(28)17-8-13-6-7-24-12-18(13)31-17/h2-8,10-12H,9H2,1H3,(H,27,28)
InChIKeyLERWMDWDQPRTHQ-UHFFFAOYSA-N
MW474.51 g/mol
LogP3.96
Rot. Bonds6

About N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 118193584) has the molecular formula C21H16F2N4O3S2 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID118193584
Molecular FormulaC21H16F2N4O3S2
Molecular Weight474.51 g/mol
Exact Mass474.06
IUPAC NameN-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(F)(F)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)nc2)cn1
InChIInChI=1S/C21H16F2N4O3S2/c1-21(22,23)19-5-4-16(11-26-19)32(29,30)15-3-2-14(25-10-15)9-27-20(28)17-8-13-6-7-24-12-18(13)31-17/h2-8,10-12H,9H2,1H3,(H,27,28)
InChIKeyLERWMDWDQPRTHQ-UHFFFAOYSA-N
XLogP3.96
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90012501
N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90012224
N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118193587
N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 155109632
N-[[4-(3-fluoro-5-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609762
N-[[5-[(6-methyl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]furo[3,2-c]pyridine-2-carboxamide
CID 118193603
N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609056
N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 123840440
N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90021112
N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[4-[2,4-bis(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 88919834
N-[[5-[(5-methyl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118193628
N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609891

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 118193584) is N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is CC(F)(F)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)nc2)cn1.
What is the InChIKey of N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is LERWMDWDQPRTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3S2/c1-21(22,23)19-5-4-16(11-26-19)32(29,30)15-3-2-14(25-10-15)9-27-20(28)17-8-13-6-7-24-12-18(13)31-17/h2-8,10-12H,9H2,1H3,(H,27,28).
What are the key properties of N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 474.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 118193584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).