1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide

C17H16N2OS — CID 5328622

IUPAC1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide
SMILESCSc1c(C(=O)Nc2ccccc2)c2ccccc2n1C
InChIInChI=1S/C17H16N2OS/c1-19-14-11-7-6-10-13(14)15(17(19)21-2)16(20)18-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,18,20)
InChIKeyNSWAGYPTXMCALG-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.15
Rot. Bonds3

About 1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide

1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide (PubChem CID 5328622) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide
PubChem CID5328622
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide
SMILESCSc1c(C(=O)Nc2ccccc2)c2ccccc2n1C
InChIInChI=1S/C17H16N2OS/c1-19-14-11-7-6-10-13(14)15(17(19)21-2)16(20)18-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,18,20)
InChIKeyNSWAGYPTXMCALG-UHFFFAOYSA-N
XLogP4.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide?
The IUPAC name of 1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide (CID 5328622) is 1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide.
What is the SMILES notation for 1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide?
The canonical SMILES for 1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide is CSc1c(C(=O)Nc2ccccc2)c2ccccc2n1C.
What is the InChIKey of 1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide?
The InChIKey is NSWAGYPTXMCALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-19-14-11-7-6-10-13(14)15(17(19)21-2)16(20)18-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,18,20).
What are the key properties of 1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide?
1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanyl-N-phenylindole-3-carboxamide is sourced from PubChem (CID 5328622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).