N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C40H29F3N6O7S4 — CID 66612568

IUPACN-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2OC(F)(F)F)cc1)c1ccc2nccn2c1.O=C(NCc1ccc(S(=O)(=O)c2nccs2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C22H16F3N3O4S.C18H13N3O3S3/c23-22(24,25)32-18-3-1-2-4-19(18)33(30,31)17-8-5-15(6-9-17)13-27-21(29)16-7-10-20-26-11-12-28(20)14-16;22-17(15-9-13-5-6-19-11-16(13)26-15)21-10-12-1-3-14(4-2-12)27(23,24)18-20-7-8-25-18/h1-12,14H,13H2,(H,27,29);1-9,11H,10H2,(H,21,22)
InChIKeyOLFDBJMZBWJFCF-UHFFFAOYSA-N
MW890.97 g/mol
LogP7.51
Rot. Bonds11

About N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 66612568) has the molecular formula C40H29F3N6O7S4 and a molecular weight of 890.97 g/mol. Its IUPAC name is N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID66612568
Molecular FormulaC40H29F3N6O7S4
Molecular Weight890.97 g/mol
Exact Mass890.09
IUPAC NameN-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2OC(F)(F)F)cc1)c1ccc2nccn2c1.O=C(NCc1ccc(S(=O)(=O)c2nccs2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C22H16F3N3O4S.C18H13N3O3S3/c23-22(24,25)32-18-3-1-2-4-19(18)33(30,31)17-8-5-15(6-9-17)13-27-21(29)16-7-10-20-26-11-12-28(20)14-16;22-17(15-9-13-5-6-19-11-16(13)26-15)21-10-12-1-3-14(4-2-12)27(23,24)18-20-7-8-25-18/h1-12,14H,13H2,(H,27,29);1-9,11H,10H2,(H,21,22)
InChIKeyOLFDBJMZBWJFCF-UHFFFAOYSA-N
XLogP7.51
TPSA178.79 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500890.97
LogP ≤ 57.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 66612568) is N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2OC(F)(F)F)cc1)c1ccc2nccn2c1.O=C(NCc1ccc(S(=O)(=O)c2nccs2)cc1)c1cc2ccncc2s1.
What is the InChIKey of N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is OLFDBJMZBWJFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O4S.C18H13N3O3S3/c23-22(24,25)32-18-3-1-2-4-19(18)33(30,31)17-8-5-15(6-9-17)13-27-21(29)16-7-10-20-26-11-12-28(20)14-16;22-17(15-9-13-5-6-19-11-16(13)26-15)21-10-12-1-3-14(4-2-12)27(23,24)18-20-7-8-25-18/h1-12,14H,13H2,(H,27,29);1-9,11H,10H2,(H,21,22).
What are the key properties of N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 890.97 g/mol, XLogP of 7.51, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 66612568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).