N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide

C85H56ClF2N11O6S5 — CID 161298223

IUPACN-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide
SMILESN#Cc1cccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)c1.N#Cc1cccc(-c2ccc(C(=O)Nc3cccnc3)s2)c1.N#Cc1cccc(-c2ccc(C(=O)Nc3ccncc3)s2)c1.O=C(Nc1ccc(O)cc1)c1ccc(-c2ccc(F)cc2)s1.O=C(Nc1ccncc1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H11ClN2OS.C17H12FNO2S.2C17H11N3OS.C16H11FN2OS/c19-14-4-6-15(7-5-14)21-18(22)17-9-8-16(23-17)13-3-1-2-12(10-13)11-20;18-12-3-1-11(2-4-12)15-9-10-16(22-15)17(21)19-13-5-7-14(20)8-6-13;18-10-12-3-1-4-13(9-12)15-6-7-16(22-15)17(21)20-14-5-2-8-19-11-14;18-11-12-2-1-3-13(10-12)15-4-5-16(22-15)17(21)20-14-6-8-19-9-7-14;17-12-3-1-11(2-4-12)14-5-6-15(21-14)16(20)19-13-7-9-18-10-8-13/h1-10H,(H,21,22);1-10,20H,(H,19,21);1-9,11H,(H,20,21);1-10H,(H,19,20,21);1-10H,(H,18,19,20)
InChIKeyVHGJARIHGPRZTM-UHFFFAOYSA-N
MW1561.24 g/mol
LogP21.77
Rot. Bonds15

About N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide

N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 161298223) has the molecular formula C85H56ClF2N11O6S5 and a molecular weight of 1561.24 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide
PubChem CID161298223
Molecular FormulaC85H56ClF2N11O6S5
Molecular Weight1561.24 g/mol
Exact Mass1559.27
IUPAC NameN-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide
SMILESN#Cc1cccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)c1.N#Cc1cccc(-c2ccc(C(=O)Nc3cccnc3)s2)c1.N#Cc1cccc(-c2ccc(C(=O)Nc3ccncc3)s2)c1.O=C(Nc1ccc(O)cc1)c1ccc(-c2ccc(F)cc2)s1.O=C(Nc1ccncc1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H11ClN2OS.C17H12FNO2S.2C17H11N3OS.C16H11FN2OS/c19-14-4-6-15(7-5-14)21-18(22)17-9-8-16(23-17)13-3-1-2-12(10-13)11-20;18-12-3-1-11(2-4-12)15-9-10-16(22-15)17(21)19-13-5-7-14(20)8-6-13;18-10-12-3-1-4-13(9-12)15-6-7-16(22-15)17(21)20-14-5-2-8-19-11-14;18-11-12-2-1-3-13(10-12)15-4-5-16(22-15)17(21)20-14-6-8-19-9-7-14;17-12-3-1-11(2-4-12)14-5-6-15(21-14)16(20)19-13-7-9-18-10-8-13/h1-10H,(H,21,22);1-10,20H,(H,19,21);1-9,11H,(H,20,21);1-10H,(H,19,20,21);1-10H,(H,18,19,20)
InChIKeyVHGJARIHGPRZTM-UHFFFAOYSA-N
XLogP21.77
TPSA275.77 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001561.24
LogP ≤ 521.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide
CID 158294425
N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 158545674
N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide
CID 11493386
N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 166218181
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 18155395
5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 55612844
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 46518220
N,5-diphenylthiophene-2-carboxamide
CID 3746437
N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30378979

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide (CID 161298223) is N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide is N#Cc1cccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)c1.N#Cc1cccc(-c2ccc(C(=O)Nc3cccnc3)s2)c1.N#Cc1cccc(-c2ccc(C(=O)Nc3ccncc3)s2)c1.O=C(Nc1ccc(O)cc1)c1ccc(-c2ccc(F)cc2)s1.O=C(Nc1ccncc1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is VHGJARIHGPRZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS.C17H12FNO2S.2C17H11N3OS.C16H11FN2OS/c19-14-4-6-15(7-5-14)21-18(22)17-9-8-16(23-17)13-3-1-2-12(10-13)11-20;18-12-3-1-11(2-4-12)15-9-10-16(22-15)17(21)19-13-5-7-14(20)8-6-13;18-10-12-3-1-4-13(9-12)15-6-7-16(22-15)17(21)20-14-5-2-8-19-11-14;18-11-12-2-1-3-13(10-12)15-4-5-16(22-15)17(21)20-14-6-8-19-9-7-14;17-12-3-1-11(2-4-12)14-5-6-15(21-14)16(20)19-13-7-9-18-10-8-13/h1-10H,(H,21,22);1-10,20H,(H,19,21);1-9,11H,(H,20,21);1-10H,(H,19,20,21);1-10H,(H,18,19,20).
What are the key properties of N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide?
N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 1561.24 g/mol, XLogP of 21.77, 15 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 161298223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).