5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide

C18H18N2OS — CID 15211854

IUPAC5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide
SMILESCCSc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2C
InChIInChI=1S/C18H18N2OS/c1-3-22-15-9-10-16-13(11-15)12-17(20(16)2)18(21)19-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,19,21)
InChIKeyUJCLFENJPXDEPJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.54
Rot. Bonds4

About 5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide

5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide (PubChem CID 15211854) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide.

Molecular Properties

Compound Name5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide
PubChem CID15211854
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide
SMILESCCSc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2C
InChIInChI=1S/C18H18N2OS/c1-3-22-15-9-10-16-13(11-15)12-17(20(16)2)18(21)19-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,19,21)
InChIKeyUJCLFENJPXDEPJ-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide?
The IUPAC name of 5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide (CID 15211854) is 5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide.
What is the SMILES notation for 5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide?
The canonical SMILES for 5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide is CCSc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2C.
What is the InChIKey of 5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide?
The InChIKey is UJCLFENJPXDEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-3-22-15-9-10-16-13(11-15)12-17(20(16)2)18(21)19-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,19,21).
What are the key properties of 5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide?
5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-1-methyl-N-phenylindole-2-carboxamide is sourced from PubChem (CID 15211854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).