2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide

C19H17BrN2O2S — CID 2998876

IUPAC2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide
SMILESCC(c1ccco1)N(C(=O)CSc1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C19H17BrN2O2S/c1-14(17-5-4-12-24-17)22(18-6-2-3-11-21-18)19(23)13-25-16-9-7-15(20)8-10-16/h2-12,14H,13H2,1H3
InChIKeyXYZVZXUWISZKQZ-UHFFFAOYSA-N
MW417.33 g/mol
LogP5.32
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide

2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide (PubChem CID 2998876) has the molecular formula C19H17BrN2O2S and a molecular weight of 417.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide
PubChem CID2998876
Molecular FormulaC19H17BrN2O2S
Molecular Weight417.33 g/mol
Exact Mass416.02
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide
SMILESCC(c1ccco1)N(C(=O)CSc1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C19H17BrN2O2S/c1-14(17-5-4-12-24-17)22(18-6-2-3-11-21-18)19(23)13-25-16-9-7-15(20)8-10-16/h2-12,14H,13H2,1H3
InChIKeyXYZVZXUWISZKQZ-UHFFFAOYSA-N
XLogP5.32
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.33
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide (CID 2998876) is 2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide is CC(c1ccco1)N(C(=O)CSc1ccc(Br)cc1)c1ccccn1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide?
The InChIKey is XYZVZXUWISZKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2S/c1-14(17-5-4-12-24-17)22(18-6-2-3-11-21-18)19(23)13-25-16-9-7-15(20)8-10-16/h2-12,14H,13H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide?
2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide has a molecular weight of 417.33 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 2998876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).