N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide

C18H20N2O2S — CID 3240248

IUPACN-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
SMILESCCCn1cc(SCC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C18H20N2O2S/c1-2-9-20-12-17(15-7-3-4-8-16(15)20)23-13-18(21)19-11-14-6-5-10-22-14/h3-8,10,12H,2,9,11,13H2,1H3,(H,19,21)
InChIKeyPGHVELJJPNLJHS-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.05
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide (PubChem CID 3240248) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
PubChem CID3240248
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
SMILESCCCn1cc(SCC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C18H20N2O2S/c1-2-9-20-12-17(15-7-3-4-8-16(15)20)23-13-18(21)19-11-14-6-5-10-22-14/h3-8,10,12H,2,9,11,13H2,1H3,(H,19,21)
InChIKeyPGHVELJJPNLJHS-UHFFFAOYSA-N
XLogP4.05
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide (CID 3240248) is N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide is CCCn1cc(SCC(=O)NCc2ccco2)c2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide?
The InChIKey is PGHVELJJPNLJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-2-9-20-12-17(15-7-3-4-8-16(15)20)23-13-18(21)19-11-14-6-5-10-22-14/h3-8,10,12H,2,9,11,13H2,1H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide has a molecular weight of 328.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide is sourced from PubChem (CID 3240248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).