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

C48H32F2N4O6S5 — CID 88919933

IUPACN-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc2ccncc2s1.O=C(NCc1ccc(S(=O)(=O)c2cccc3c2sc2ccccc23)cc1)c1cc2ccncc2s1
InChIInChI=1S/C27H18N2O3S3.C21H14F2N2O3S2/c30-27(23-14-18-12-13-28-16-24(18)33-23)29-15-17-8-10-19(11-9-17)35(31,32)25-7-3-5-21-20-4-1-2-6-22(20)34-26(21)25;22-17-6-5-16(10-18(17)23)30(27,28)15-3-1-13(2-4-15)11-25-21(26)19-9-14-7-8-24-12-20(14)29-19/h1-14,16H,15H2,(H,29,30);1-10,12H,11H2,(H,25,26)
InChIKeyGQNNGANCAWRQTR-UHFFFAOYSA-N
MW959.14 g/mol
LogP10.76
Rot. Bonds10

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

N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 88919933) has the molecular formula C48H32F2N4O6S5 and a molecular weight of 959.14 g/mol. Its IUPAC name is N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID88919933
Molecular FormulaC48H32F2N4O6S5
Molecular Weight959.14 g/mol
Exact Mass958.09
IUPAC NameN-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc2ccncc2s1.O=C(NCc1ccc(S(=O)(=O)c2cccc3c2sc2ccccc23)cc1)c1cc2ccncc2s1
InChIInChI=1S/C27H18N2O3S3.C21H14F2N2O3S2/c30-27(23-14-18-12-13-28-16-24(18)33-23)29-15-17-8-10-19(11-9-17)35(31,32)25-7-3-5-21-20-4-1-2-6-22(20)34-26(21)25;22-17-6-5-16(10-18(17)23)30(27,28)15-3-1-13(2-4-15)11-25-21(26)19-9-14-7-8-24-12-20(14)29-19/h1-14,16H,15H2,(H,29,30);1-10,12H,11H2,(H,25,26)
InChIKeyGQNNGANCAWRQTR-UHFFFAOYSA-N
XLogP10.76
TPSA152.26 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500959.14
LogP ≤ 510.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 88919933) is N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc2ccncc2s1.O=C(NCc1ccc(S(=O)(=O)c2cccc3c2sc2ccccc23)cc1)c1cc2ccncc2s1.
What is the InChIKey of N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is GQNNGANCAWRQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O3S3.C21H14F2N2O3S2/c30-27(23-14-18-12-13-28-16-24(18)33-23)29-15-17-8-10-19(11-9-17)35(31,32)25-7-3-5-21-20-4-1-2-6-22(20)34-26(21)25;22-17-6-5-16(10-18(17)23)30(27,28)15-3-1-13(2-4-15)11-25-21(26)19-9-14-7-8-24-12-20(14)29-19/h1-14,16H,15H2,(H,29,30);1-10,12H,11H2,(H,25,26).
What are the key properties of N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 959.14 g/mol, XLogP of 10.76, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 88919933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).