N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide

C19H18N2O2S — CID 132567535

IUPACN-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NCc2ccccc2)c(C=O)c2ccccc21
InChIInChI=1S/C19H18N2O2S/c1-21-17-10-6-5-9-15(17)16(12-22)19(21)24-13-18(23)20-11-14-7-3-2-4-8-14/h2-10,12H,11,13H2,1H3,(H,20,23)
InChIKeyLEYZGVDMGHBVFO-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.40
Rot. Bonds6

About N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide

N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide (PubChem CID 132567535) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide
PubChem CID132567535
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NCc2ccccc2)c(C=O)c2ccccc21
InChIInChI=1S/C19H18N2O2S/c1-21-17-10-6-5-9-15(17)16(12-22)19(21)24-13-18(23)20-11-14-7-3-2-4-8-14/h2-10,12H,11,13H2,1H3,(H,20,23)
InChIKeyLEYZGVDMGHBVFO-UHFFFAOYSA-N
XLogP3.40
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide (CID 132567535) is N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide is Cn1c(SCC(=O)NCc2ccccc2)c(C=O)c2ccccc21.
What is the InChIKey of N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide?
The InChIKey is LEYZGVDMGHBVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-21-17-10-6-5-9-15(17)16(12-22)19(21)24-13-18(23)20-11-14-7-3-2-4-8-14/h2-10,12H,11,13H2,1H3,(H,20,23).
What are the key properties of N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide?
N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide has a molecular weight of 338.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide is sourced from PubChem (CID 132567535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).