5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide

C17H11ClF2N2O2S — CID 11523769

IUPAC5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide
SMILESCOc1ncc(Cl)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C17H11ClF2N2O2S/c1-24-17-10(7-9(18)8-21-17)13-5-6-14(25-13)16(23)22-15-11(19)3-2-4-12(15)20/h2-8H,1H3,(H,22,23)
InChIKeyXXRNWZQWAGYWQG-UHFFFAOYSA-N
MW380.80 g/mol
LogP5.00
Rot. Bonds4

About 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide

5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide (PubChem CID 11523769) has the molecular formula C17H11ClF2N2O2S and a molecular weight of 380.80 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide
PubChem CID11523769
Molecular FormulaC17H11ClF2N2O2S
Molecular Weight380.80 g/mol
Exact Mass380.02
IUPAC Name5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide
SMILESCOc1ncc(Cl)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C17H11ClF2N2O2S/c1-24-17-10(7-9(18)8-21-17)13-5-6-14(25-13)16(23)22-15-11(19)3-2-4-12(15)20/h2-8H,1H3,(H,22,23)
InChIKeyXXRNWZQWAGYWQG-UHFFFAOYSA-N
XLogP5.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.80
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide (CID 11523769) is 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide is COc1ncc(Cl)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1.
What is the InChIKey of 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide?
The InChIKey is XXRNWZQWAGYWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O2S/c1-24-17-10(7-9(18)8-21-17)13-5-6-14(25-13)16(23)22-15-11(19)3-2-4-12(15)20/h2-8H,1H3,(H,22,23).
What are the key properties of 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide?
5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide has a molecular weight of 380.80 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 11523769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).