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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Related Compounds

1-(9H-carbazol-9-yl)-3-(((furan-2-yl)methyl)amino)propan-2-ol
CID 652652
N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 16194637
N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 744531
N-Furan-2-ylmethyl-2-(3-propionyl-indol-1-yl)-acetamide
CID 955329
2-[N-(4-aminobutyl)-2-[N-(4-aminobutyl)-2-{2-[N-(4-aminobutyl)-2-{2-[N-(4-aminobutyl)-2-{2-[N-(4-aminobutyl)-2-{[2-(1H-indol-3-yl)ethyl]amino}acetamido]-N-(furan-2-ylmethyl)acetamido}acetamido]-N-(2-methylpropyl)acetamido}acetamido]-N-(2-methylpropyl)acetamido}acetamido]acetamido]acetamide
CID 24873735
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 582676
2-Amino-N-furan-2-ylmethyl-3-(1H-indol-3-yl)-propionamide
CID 582509
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 17580014
1-benzyl-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide
CID 1028319
Acetamide, N-furan-2-ylmethyl-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]-
CID 2930335

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).