2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C18H15ClN2O2S — CID 4208203

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cccnc1SCc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O2S/c19-16-8-2-1-5-13(16)12-24-18-15(7-3-9-20-18)17(22)21-11-14-6-4-10-23-14/h1-10H,11-12H2,(H,21,22)
InChIKeyUKZFVSGMMDLZSP-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.55
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide

2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 4208203) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID4208203
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cccnc1SCc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O2S/c19-16-8-2-1-5-13(16)12-24-18-15(7-3-9-20-18)17(22)21-11-14-6-4-10-23-14/h1-10H,11-12H2,(H,21,22)
InChIKeyUKZFVSGMMDLZSP-UHFFFAOYSA-N
XLogP4.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 4208203) is 2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccco1)c1cccnc1SCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is UKZFVSGMMDLZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c19-16-8-2-1-5-13(16)12-24-18-15(7-3-9-20-18)17(22)21-11-14-6-4-10-23-14/h1-10H,11-12H2,(H,21,22).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 4208203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).