5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide

C24H19Cl2N3O2S — CID 23624302

IUPAC5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cc(-c3cccc(Cl)c3)cnc2N)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C24H19Cl2N3O2S/c1-13(17-7-2-3-8-19(17)26)31-20-11-21(32-22(20)24(28)30)18-10-15(12-29-23(18)27)14-5-4-6-16(25)9-14/h2-13H,1H3,(H2,27,29)(H2,28,30)
InChIKeyFPGNISSQNYAEFJ-UHFFFAOYSA-N
MW484.41 g/mol
LogP6.61
Rot. Bonds6

About 5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide

5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (PubChem CID 23624302) has the molecular formula C24H19Cl2N3O2S and a molecular weight of 484.41 g/mol. Its IUPAC name is 5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
PubChem CID23624302
Molecular FormulaC24H19Cl2N3O2S
Molecular Weight484.41 g/mol
Exact Mass483.06
IUPAC Name5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cc(-c3cccc(Cl)c3)cnc2N)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C24H19Cl2N3O2S/c1-13(17-7-2-3-8-19(17)26)31-20-11-21(32-22(20)24(28)30)18-10-15(12-29-23(18)27)14-5-4-6-16(25)9-14/h2-13H,1H3,(H2,27,29)(H2,28,30)
InChIKeyFPGNISSQNYAEFJ-UHFFFAOYSA-N
XLogP6.61
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.41
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The IUPAC name of 5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (CID 23624302) is 5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is CC(Oc1cc(-c2cc(-c3cccc(Cl)c3)cnc2N)sc1C(N)=O)c1ccccc1Cl.
What is the InChIKey of 5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The InChIKey is FPGNISSQNYAEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2S/c1-13(17-7-2-3-8-19(17)26)31-20-11-21(32-22(20)24(28)30)18-10-15(12-29-23(18)27)14-5-4-6-16(25)9-14/h2-13H,1H3,(H2,27,29)(H2,28,30).
What are the key properties of 5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide has a molecular weight of 484.41 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 23624302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).