N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide

C15H20N2O2S — CID 104920104

IUPACN-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCSCCCCCNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H20N2O2S/c1-20-8-4-2-3-7-16-15(19)11-5-6-13-12(9-11)10-14(18)17-13/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyLNQLTFRYZDDAEX-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.44
Rot. Bonds7

About N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide

N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 104920104) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID104920104
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCSCCCCCNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H20N2O2S/c1-20-8-4-2-3-7-16-15(19)11-5-6-13-12(9-11)10-14(18)17-13/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyLNQLTFRYZDDAEX-UHFFFAOYSA-N
XLogP2.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103757881
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-(2-methyl-2-methylsulfanylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103713488
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492
N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784488
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide
CID 103711180
2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710774

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide (CID 104920104) is N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide is CSCCCCCNC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is LNQLTFRYZDDAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-20-8-4-2-3-7-16-15(19)11-5-6-13-12(9-11)10-14(18)17-13/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 104920104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).