2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C22H20N2O2S — CID 4294471

IUPAC2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C22H20N2O2S/c25-22(23-13-18-9-6-12-26-18)16-27-21-15-24(14-17-7-2-1-3-8-17)20-11-5-4-10-19(20)21/h1-12,15H,13-14,16H2,(H,23,25)
InChIKeyFMFVRDKRFKJSTJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.69
Rot. Bonds7

About 2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 4294471) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID4294471
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C22H20N2O2S/c25-22(23-13-18-9-6-12-26-18)16-27-21-15-24(14-17-7-2-1-3-8-17)20-11-5-4-10-19(20)21/h1-12,15H,13-14,16H2,(H,23,25)
InChIKeyFMFVRDKRFKJSTJ-UHFFFAOYSA-N
XLogP4.69
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 4294471) is 2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is O=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1.
What is the InChIKey of 2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FMFVRDKRFKJSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c25-22(23-13-18-9-6-12-26-18)16-27-21-15-24(14-17-7-2-1-3-8-17)20-11-5-4-10-19(20)21/h1-12,15H,13-14,16H2,(H,23,25).
What are the key properties of 2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-3-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 4294471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).