2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide

C19H17FN2O2S — CID 52906793

IUPAC2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C19H17FN2O2S/c20-15-6-8-18(9-7-15)25-14-19(23)22(13-17-5-3-11-24-17)12-16-4-1-2-10-21-16/h1-11H,12-14H2
InChIKeyATCMHWLATKNMRY-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.13
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 52906793) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID52906793
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C19H17FN2O2S/c20-15-6-8-18(9-7-15)25-14-19(23)22(13-17-5-3-11-24-17)12-16-4-1-2-10-21-16/h1-11H,12-14H2
InChIKeyATCMHWLATKNMRY-UHFFFAOYSA-N
XLogP4.13
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide (CID 52906793) is 2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide is O=C(CSc1ccc(F)cc1)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is ATCMHWLATKNMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c20-15-6-8-18(9-7-15)25-14-19(23)22(13-17-5-3-11-24-17)12-16-4-1-2-10-21-16/h1-11H,12-14H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 356.42 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 52906793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).