5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C87H67F4N11O5S5 — CID 159663778

IUPAC5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCC(C)c1cccc(-c2ccc(C(=O)Nc3ccncc3)s2)c1.Cc1ccc(-c2ccc(C(=O)Nc3cccnc3)s2)cc1C.N#Cc1ccc(-c2ccc(C(=O)Nc3ccncc3)s2)cc1.O=C(Nc1cccnc1)c1ccc(-c2cccc(C(F)(F)F)c2)s1.O=C(Nc1cccnc1)c1ccc(-c2cccc(F)c2)s1
InChIInChI=1S/C19H18N2OS.C18H16N2OS.C17H11F3N2OS.C17H11N3OS.C16H11FN2OS/c1-13(2)14-4-3-5-15(12-14)17-6-7-18(23-17)19(22)21-16-8-10-20-11-9-16;1-12-5-6-14(10-13(12)2)16-7-8-17(22-16)18(21)20-15-4-3-9-19-11-15;18-17(19,20)12-4-1-3-11(9-12)14-6-7-15(24-14)16(23)22-13-5-2-8-21-10-13;18-11-12-1-3-13(4-2-12)15-5-6-16(22-15)17(21)20-14-7-9-19-10-8-14;17-12-4-1-3-11(9-12)14-6-7-15(21-14)16(20)19-13-5-2-8-18-10-13/h3-13H,1-2H3,(H,20,21,22);3-11H,1-2H3,(H,20,21);1-10H,(H,22,23);1-10H,(H,19,20,21);1-10H,(H,19,20)
InChIKeyMTDKAQTULNJGPL-UHFFFAOYSA-N
MW1582.89 g/mol
LogP23.08
Rot. Bonds16

About 5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 159663778) has the molecular formula C87H67F4N11O5S5 and a molecular weight of 1582.89 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID159663778
Molecular FormulaC87H67F4N11O5S5
Molecular Weight1582.89 g/mol
Exact Mass1581.39
IUPAC Name5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCC(C)c1cccc(-c2ccc(C(=O)Nc3ccncc3)s2)c1.Cc1ccc(-c2ccc(C(=O)Nc3cccnc3)s2)cc1C.N#Cc1ccc(-c2ccc(C(=O)Nc3ccncc3)s2)cc1.O=C(Nc1cccnc1)c1ccc(-c2cccc(C(F)(F)F)c2)s1.O=C(Nc1cccnc1)c1ccc(-c2cccc(F)c2)s1
InChIInChI=1S/C19H18N2OS.C18H16N2OS.C17H11F3N2OS.C17H11N3OS.C16H11FN2OS/c1-13(2)14-4-3-5-15(12-14)17-6-7-18(23-17)19(22)21-16-8-10-20-11-9-16;1-12-5-6-14(10-13(12)2)16-7-8-17(22-16)18(21)20-15-4-3-9-19-11-15;18-17(19,20)12-4-1-3-11(9-12)14-6-7-15(24-14)16(23)22-13-5-2-8-21-10-13;18-11-12-1-3-13(4-2-12)15-5-6-16(22-15)17(21)20-14-7-9-19-10-8-14;17-12-4-1-3-11(9-12)14-6-7-15(21-14)16(20)19-13-5-2-8-18-10-13/h3-13H,1-2H3,(H,20,21,22);3-11H,1-2H3,(H,20,21);1-10H,(H,22,23);1-10H,(H,19,20,21);1-10H,(H,19,20)
InChIKeyMTDKAQTULNJGPL-UHFFFAOYSA-N
XLogP23.08
TPSA233.74 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001582.89
LogP ≤ 523.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide with MolForge

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Related Compounds

4,4'-(perfluorocyclopent-1-ene-1,2-diyl)bis(N-(3-([2,2':6',2''-terpyridin]-4'-yl-amino)propyl)-5-methylthiophene-2-carboxamide)
CID 176514722
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)thiophene-2-carboxamide;2-(4-chlorophenyl)-5-(3-phenylpropyl)thiophene;5-(3,4-dimethylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(2-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 157433749
2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]pyrazin-2-yl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-2-pyridinyl]propanamide
CID 158302839
4-[5-But-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-pentylthiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone;1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pentan-1-one;[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone
CID 161235302
5-(3-cyano-4-fluorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide;N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(6-fluoro-3-pyridinyl)thiophene-2-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2-methylphenyl)thiophene-2-carboxamide)
CID 161656730
3-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]aniline;3-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]benzamide;4-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]benzamide;3-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]-N-(2-hydroxyethyl)benzamide;4-[5-(4-fluorophenyl)-2-pent-1-ynyl-4-pyridin-4-ylthiophen-3-yl]-N-(2-hydroxyethyl)benzamide
CID 164159515

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 159663778) is 5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is CC(C)c1cccc(-c2ccc(C(=O)Nc3ccncc3)s2)c1.Cc1ccc(-c2ccc(C(=O)Nc3cccnc3)s2)cc1C.N#Cc1ccc(-c2ccc(C(=O)Nc3ccncc3)s2)cc1.O=C(Nc1cccnc1)c1ccc(-c2cccc(C(F)(F)F)c2)s1.O=C(Nc1cccnc1)c1ccc(-c2cccc(F)c2)s1.
What is the InChIKey of 5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is MTDKAQTULNJGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS.C18H16N2OS.C17H11F3N2OS.C17H11N3OS.C16H11FN2OS/c1-13(2)14-4-3-5-15(12-14)17-6-7-18(23-17)19(22)21-16-8-10-20-11-9-16;1-12-5-6-14(10-13(12)2)16-7-8-17(22-16)18(21)20-15-4-3-9-19-11-15;18-17(19,20)12-4-1-3-11(9-12)14-6-7-15(24-14)16(23)22-13-5-2-8-21-10-13;18-11-12-1-3-13(4-2-12)15-5-6-16(22-15)17(21)20-14-7-9-19-10-8-14;17-12-4-1-3-11(9-12)14-6-7-15(21-14)16(20)19-13-5-2-8-18-10-13/h3-13H,1-2H3,(H,20,21,22);3-11H,1-2H3,(H,20,21);1-10H,(H,22,23);1-10H,(H,19,20,21);1-10H,(H,19,20).
What are the key properties of 5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 1582.89 g/mol, XLogP of 23.08, 16 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(3,4-dimethylphenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-propan-2-ylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 159663778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).