N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide

C23H32N2O3S — CID 14747781

IUPACN-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide
SMILESO=C(CCCCOc1ccc2[nH]c(=O)ccc2c1)N(CCS)CC1CCCCC1
InChIInChI=1S/C23H32N2O3S/c26-22-12-9-19-16-20(10-11-21(19)24-22)28-14-5-4-8-23(27)25(13-15-29)17-18-6-2-1-3-7-18/h9-12,16,18,29H,1-8,13-15,17H2,(H,24,26)
InChIKeyPGNRUQXGXKJMKY-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.42
Rot. Bonds10

About N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide

N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide (PubChem CID 14747781) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide
PubChem CID14747781
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC NameN-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide
SMILESO=C(CCCCOc1ccc2[nH]c(=O)ccc2c1)N(CCS)CC1CCCCC1
InChIInChI=1S/C23H32N2O3S/c26-22-12-9-19-16-20(10-11-21(19)24-22)28-14-5-4-8-23(27)25(13-15-29)17-18-6-2-1-3-7-18/h9-12,16,18,29H,1-8,13-15,17H2,(H,24,26)
InChIKeyPGNRUQXGXKJMKY-UHFFFAOYSA-N
XLogP4.42
TPSA62.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-N-(cyclooctylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
CID 14747718
N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid
CID 14747792
N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
CID 14747728
N-(cyclooctylmethyl)-N-[2-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
CID 18652694
N-(cyclooctylmethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
CID 14747681
N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-3-hydroxypropan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
CID 14747711
N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide
CID 15572912
2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate
CID 13107965
N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
CID 13112648
N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
CID 13288178
N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
CID 20563579
6-(cyclopropylmethoxy)-1H-quinolin-2-one
CID 68861342

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide?
The IUPAC name of N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide (CID 14747781) is N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide is O=C(CCCCOc1ccc2[nH]c(=O)ccc2c1)N(CCS)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide?
The InChIKey is PGNRUQXGXKJMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c26-22-12-9-19-16-20(10-11-21(19)24-22)28-14-5-4-8-23(27)25(13-15-29)17-18-6-2-1-3-7-18/h9-12,16,18,29H,1-8,13-15,17H2,(H,24,26).
What are the key properties of N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide?
N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide has a molecular weight of 416.59 g/mol, XLogP of 4.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide is sourced from PubChem (CID 14747781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).