2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide

C17H16N2OS — CID 2153517

IUPAC2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide
SMILESCc1[nH]c2ccccc2c1SCC(=O)Nc1ccccc1
InChIInChI=1S/C17H16N2OS/c1-12-17(14-9-5-6-10-15(14)18-12)21-11-16(20)19-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyJRJYPMDLONVDSX-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.21
Rot. Bonds4

About 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide

2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide (PubChem CID 2153517) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide
PubChem CID2153517
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide
SMILESCc1[nH]c2ccccc2c1SCC(=O)Nc1ccccc1
InChIInChI=1S/C17H16N2OS/c1-12-17(14-9-5-6-10-15(14)18-12)21-11-16(20)19-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyJRJYPMDLONVDSX-UHFFFAOYSA-N
XLogP4.21
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide (CID 2153517) is 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide is Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is JRJYPMDLONVDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-17(14-9-5-6-10-15(14)18-12)21-11-16(20)19-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3,(H,19,20).
What are the key properties of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide?
2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 296.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2153517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).