N-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

C18H18N2O2S2 — CID 71804176

IUPACN-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C18H18N2O2S2/c1-23-17-16(5-2-8-19-17)18(21)20(12-14-7-10-22-13-14)9-6-15-4-3-11-24-15/h2-5,7-8,10-11,13H,6,9,12H2,1H3
InChIKeyUTVBQZWUHAVZAF-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.34
Rot. Bonds7

About N-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

N-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 71804176) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID71804176
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C18H18N2O2S2/c1-23-17-16(5-2-8-19-17)18(21)20(12-14-7-10-22-13-14)9-6-15-4-3-11-24-15/h2-5,7-8,10-11,13H,6,9,12H2,1H3
InChIKeyUTVBQZWUHAVZAF-UHFFFAOYSA-N
XLogP4.34
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 71804176) is N-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is CSc1ncccc1C(=O)N(CCc1cccs1)Cc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is UTVBQZWUHAVZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-23-17-16(5-2-8-19-17)18(21)20(12-14-7-10-22-13-14)9-6-15-4-3-11-24-15/h2-5,7-8,10-11,13H,6,9,12H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
N-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-methylsulfanyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 71804176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).