5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide

C16H10ClF2N3O2S — CID 11696616

IUPAC5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide
SMILESCOc1ncc(Cl)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1
InChIInChI=1S/C16H10ClF2N3O2S/c1-24-16-9(4-8(17)5-21-16)12-2-3-13(25-12)15(23)22-14-10(18)6-20-7-11(14)19/h2-7H,1H3,(H,20,22,23)
InChIKeyJRUGWMFEMJFCEK-UHFFFAOYSA-N
MW381.79 g/mol
LogP4.40
Rot. Bonds4

About 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide

5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide (PubChem CID 11696616) has the molecular formula C16H10ClF2N3O2S and a molecular weight of 381.79 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide
PubChem CID11696616
Molecular FormulaC16H10ClF2N3O2S
Molecular Weight381.79 g/mol
Exact Mass381.02
IUPAC Name5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide
SMILESCOc1ncc(Cl)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1
InChIInChI=1S/C16H10ClF2N3O2S/c1-24-16-9(4-8(17)5-21-16)12-2-3-13(25-12)15(23)22-14-10(18)6-20-7-11(14)19/h2-7H,1H3,(H,20,22,23)
InChIKeyJRUGWMFEMJFCEK-UHFFFAOYSA-N
XLogP4.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide (CID 11696616) is 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide is COc1ncc(Cl)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1.
What is the InChIKey of 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide?
The InChIKey is JRUGWMFEMJFCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N3O2S/c1-24-16-9(4-8(17)5-21-16)12-2-3-13(25-12)15(23)22-14-10(18)6-20-7-11(14)19/h2-7H,1H3,(H,20,22,23).
What are the key properties of 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide?
5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide has a molecular weight of 381.79 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxy-3-pyridinyl)-N-(3,5-difluoro-4-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 11696616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).