N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide

C16H22N2OS — CID 103709321

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
SMILESCCC(CC)(CNC(=O)c1ccc2[nH]ccc2c1)SC
InChIInChI=1S/C16H22N2OS/c1-4-16(5-2,20-3)11-18-15(19)13-6-7-14-12(10-13)8-9-17-14/h6-10,17H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyXUQGZVFGDULMNI-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.82
Rot. Bonds6

About N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide

N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide (PubChem CID 103709321) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
PubChem CID103709321
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
SMILESCCC(CC)(CNC(=O)c1ccc2[nH]ccc2c1)SC
InChIInChI=1S/C16H22N2OS/c1-4-16(5-2,20-3)11-18-15(19)13-6-7-14-12(10-13)8-9-17-14/h6-10,17H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyXUQGZVFGDULMNI-UHFFFAOYSA-N
XLogP3.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-(2-ethyl-2-methylsulfanylbutyl)-3-hydroxy-4-methylbenzamide
CID 103957298
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide
CID 107271586
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide
CID 103709293
2-[(1H-indole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220172
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide (CID 103709321) is N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide is CCC(CC)(CNC(=O)c1ccc2[nH]ccc2c1)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide?
The InChIKey is XUQGZVFGDULMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-16(5-2,20-3)11-18-15(19)13-6-7-14-12(10-13)8-9-17-14/h6-10,17H,4-5,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide?
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 103709321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).