N-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide

C19H18N2O2S — CID 52906784

IUPACN-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCSc1ccccc1C(=O)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C19H18N2O2S/c1-24-18-10-3-2-9-17(18)19(22)21(14-16-8-6-12-23-16)13-15-7-4-5-11-20-15/h2-12H,13-14H2,1H3
InChIKeyROVWZMIACZSHDP-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.24
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide

N-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 52906784) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID52906784
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCSc1ccccc1C(=O)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C19H18N2O2S/c1-24-18-10-3-2-9-17(18)19(22)21(14-16-8-6-12-23-16)13-15-7-4-5-11-20-15/h2-12H,13-14H2,1H3
InChIKeyROVWZMIACZSHDP-UHFFFAOYSA-N
XLogP4.24
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide (CID 52906784) is N-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide is CSc1ccccc1C(=O)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is ROVWZMIACZSHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-24-18-10-3-2-9-17(18)19(22)21(14-16-8-6-12-23-16)13-15-7-4-5-11-20-15/h2-12H,13-14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide?
N-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 338.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 52906784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).