2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide

C16H23N3OS — CID 90689166

IUPAC2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc2c(c1)NC(=S)CN2
InChIInChI=1S/C16H23N3OS/c1-3-5-6-11(4-2)16(20)18-12-7-8-13-14(9-12)19-15(21)10-17-13/h7-9,11,17H,3-6,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKNMABCKLQBDCRD-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.01
Rot. Bonds6

About 2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide

2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide (PubChem CID 90689166) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide
PubChem CID90689166
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc2c(c1)NC(=S)CN2
InChIInChI=1S/C16H23N3OS/c1-3-5-6-11(4-2)16(20)18-12-7-8-13-14(9-12)19-15(21)10-17-13/h7-9,11,17H,3-6,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKNMABCKLQBDCRD-UHFFFAOYSA-N
XLogP4.01
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide
CID 19736343
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
N-(3-bromo-4-methylphenyl)-2-ethylhexanamide
CID 55223159
2-ethyl-N-(4-fluorophenyl)heptanamide
CID 130290912
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide
CID 43507662
2-ethyl-N-(1H-pyrazol-5-yl)hexanamide
CID 61393178
2-ethyl-N-(3-formylphenyl)hexanamide
CID 54554247
2-ethyl-N-[3-(2-ethylhexanoylamino)-4-nitrophenyl]hexanamide
CID 2931731
2-ethyl-N-(4-methyl-2-pyridinyl)hexanamide
CID 4195795
(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide
CID 7801539
2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 46549642

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide?
The IUPAC name of 2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide (CID 90689166) is 2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide?
The canonical SMILES for 2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide is CCCCC(CC)C(=O)Nc1ccc2c(c1)NC(=S)CN2.
What is the InChIKey of 2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide?
The InChIKey is KNMABCKLQBDCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-5-6-11(4-2)16(20)18-12-7-8-13-14(9-12)19-15(21)10-17-13/h7-9,11,17H,3-6,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide?
2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide has a molecular weight of 305.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-sulfanylidene-2,4-dihydro-1H-quinoxalin-6-yl)hexanamide is sourced from PubChem (CID 90689166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).