N-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide

C23H22N2O2S — CID 3338227

IUPACN-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESCc1ccccc1Cn1cc(SCC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C23H22N2O2S/c1-17-7-2-3-8-18(17)14-25-15-22(20-10-4-5-11-21(20)25)28-16-23(26)24-13-19-9-6-12-27-19/h2-12,15H,13-14,16H2,1H3,(H,24,26)
InChIKeyJLSBXXUIOHTUMC-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.00
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide

N-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide (PubChem CID 3338227) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
PubChem CID3338227
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESCc1ccccc1Cn1cc(SCC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C23H22N2O2S/c1-17-7-2-3-8-18(17)14-25-15-22(20-10-4-5-11-21(20)25)28-16-23(26)24-13-19-9-6-12-27-19/h2-12,15H,13-14,16H2,1H3,(H,24,26)
InChIKeyJLSBXXUIOHTUMC-UHFFFAOYSA-N
XLogP5.00
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 55.00
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-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide (CID 3338227) is N-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide is Cc1ccccc1Cn1cc(SCC(=O)NCc2ccco2)c2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
The InChIKey is JLSBXXUIOHTUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-17-7-2-3-8-18(17)14-25-15-22(20-10-4-5-11-21(20)25)28-16-23(26)24-13-19-9-6-12-27-19/h2-12,15H,13-14,16H2,1H3,(H,24,26).
What are the key properties of N-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide has a molecular weight of 390.51 g/mol, XLogP of 5.00, 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-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 3338227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).