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

C89H71Cl2F4N7O4S5 — CID 157433749

IUPACN-(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
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1C.Cc1ccc(-c2ccc(C(=O)Nc3ccncc3)s2)cc1C.Clc1ccc(-c2ccc(CCCc3ccccc3)s2)cc1.O=C(Nc1ccncc1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1.O=C(Nc1ccncc1)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C19H16ClNOS.C19H17ClS.C18H16N2OS.C17H11F3N2OS.C16H11FN2OS/c1-12-3-4-14(11-13(12)2)17-9-10-18(23-17)19(22)21-16-7-5-15(20)6-8-16;20-17-11-9-16(10-12-17)19-14-13-18(21-19)8-4-7-15-5-2-1-3-6-15;1-12-3-4-14(11-13(12)2)16-5-6-17(22-16)18(21)20-15-7-9-19-10-8-15;18-17(19,20)12-3-1-11(2-4-12)14-5-6-15(24-14)16(23)22-13-7-9-21-10-8-13;17-13-4-2-1-3-12(13)14-5-6-15(21-14)16(20)19-11-7-9-18-10-8-11/h3-11H,1-2H3,(H,21,22);1-3,5-6,9-14H,4,7-8H2;3-11H,1-2H3,(H,19,20,21);1-10H,(H,21,22,23);1-10H,(H,18,19,20)
InChIKeyBQVUWJLGLWOTCX-UHFFFAOYSA-N
MW1609.82 g/mol
LogP26.14
Rot. Bonds17

About 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

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 (PubChem CID 157433749) has the molecular formula C89H71Cl2F4N7O4S5 and a molecular weight of 1609.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157433749
Molecular FormulaC89H71Cl2F4N7O4S5
Molecular Weight1609.82 g/mol
Exact Mass1607.35
IUPAC NameN-(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
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1C.Cc1ccc(-c2ccc(C(=O)Nc3ccncc3)s2)cc1C.Clc1ccc(-c2ccc(CCCc3ccccc3)s2)cc1.O=C(Nc1ccncc1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1.O=C(Nc1ccncc1)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C19H16ClNOS.C19H17ClS.C18H16N2OS.C17H11F3N2OS.C16H11FN2OS/c1-12-3-4-14(11-13(12)2)17-9-10-18(23-17)19(22)21-16-7-5-15(20)6-8-16;20-17-11-9-16(10-12-17)19-14-13-18(21-19)8-4-7-15-5-2-1-3-6-15;1-12-3-4-14(11-13(12)2)16-5-6-17(22-16)18(21)20-15-7-9-19-10-8-15;18-17(19,20)12-3-1-11(2-4-12)14-5-6-15(24-14)16(23)22-13-7-9-21-10-8-13;17-13-4-2-1-3-12(13)14-5-6-15(21-14)16(20)19-11-7-9-18-10-8-11/h3-11H,1-2H3,(H,21,22);1-3,5-6,9-14H,4,7-8H2;3-11H,1-2H3,(H,19,20,21);1-10H,(H,21,22,23);1-10H,(H,18,19,20)
InChIKeyBQVUWJLGLWOTCX-UHFFFAOYSA-N
XLogP26.14
TPSA155.07 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001609.82
LogP ≤ 526.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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
5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide;N-[4-chloro-3-(3-methyl-2-pyridinyl)phenyl]-2-methyl-4-(trifluoromethyl)benzamide;N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 162219563
N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 161381855

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1C.Cc1ccc(-c2ccc(C(=O)Nc3ccncc3)s2)cc1C.Clc1ccc(-c2ccc(CCCc3ccccc3)s2)cc1.O=C(Nc1ccncc1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1.O=C(Nc1ccncc1)c1ccc(-c2ccccc2F)s1.
What is the InChIKey of 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?
The InChIKey is BQVUWJLGLWOTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNOS.C19H17ClS.C18H16N2OS.C17H11F3N2OS.C16H11FN2OS/c1-12-3-4-14(11-13(12)2)17-9-10-18(23-17)19(22)21-16-7-5-15(20)6-8-16;20-17-11-9-16(10-12-17)19-14-13-18(21-19)8-4-7-15-5-2-1-3-6-15;1-12-3-4-14(11-13(12)2)16-5-6-17(22-16)18(21)20-15-7-9-19-10-8-15;18-17(19,20)12-3-1-11(2-4-12)14-5-6-15(24-14)16(23)22-13-7-9-21-10-8-13;17-13-4-2-1-3-12(13)14-5-6-15(21-14)16(20)19-11-7-9-18-10-8-11/h3-11H,1-2H3,(H,21,22);1-3,5-6,9-14H,4,7-8H2;3-11H,1-2H3,(H,19,20,21);1-10H,(H,21,22,23);1-10H,(H,18,19,20).
What are the key properties of 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?
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 has a molecular weight of 1609.82 g/mol, XLogP of 26.14, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157433749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).