2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide

C18H18N2OS — CID 555263

IUPAC2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
SMILESCSc1c(CC(=O)Nc2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C18H18N2OS/c1-20-15-11-7-6-10-14(15)18(22-2)16(20)12-17(21)19-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyCMQCILKLCYYXPO-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.08
Rot. Bonds4

About 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide

2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide (PubChem CID 555263) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
PubChem CID555263
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
SMILESCSc1c(CC(=O)Nc2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C18H18N2OS/c1-20-15-11-7-6-10-14(15)18(22-2)16(20)12-17(21)19-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyCMQCILKLCYYXPO-UHFFFAOYSA-N
XLogP4.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide
CID 674273
N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide
CID 630980
2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide
CID 4665843
N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 110768882
2-(1-methyl-3-phenylsulfanylindol-2-yl)acetate
CID 4623225
2-(3-chloro-1-methylindol-2-yl)acetic acid
CID 83891410
N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide
CID 165018533
2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide
CID 101106139
N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211498
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate
CID 13186153
2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113211474

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide (CID 555263) is 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide is CSc1c(CC(=O)Nc2ccccc2)n(C)c2ccccc12.
What is the InChIKey of 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide?
The InChIKey is CMQCILKLCYYXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-20-15-11-7-6-10-14(15)18(22-2)16(20)12-17(21)19-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide?
2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide has a molecular weight of 310.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 555263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).