2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide

C18H26N2O2S — CID 51089323

IUPAC2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
SMILESCCCCSC(C)C(=O)NC(C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H26N2O2S/c1-4-5-10-23-13(3)18(22)19-12(2)14-6-8-16-15(11-14)7-9-17(21)20-16/h6,8,11-13H,4-5,7,9-10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyNBNSVVRZQBCJMU-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.67
Rot. Bonds7

About 2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide

2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide (PubChem CID 51089323) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
PubChem CID51089323
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
SMILESCCCCSC(C)C(=O)NC(C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H26N2O2S/c1-4-5-10-23-13(3)18(22)19-12(2)14-6-8-16-15(11-14)7-9-17(21)20-16/h6,8,11-13H,4-5,7,9-10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyNBNSVVRZQBCJMU-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide with MolForge

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Related Compounds

(2S)-2-butylsulfanyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)propanamide
CID 125129942
4-(methylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 119729786
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
CID 94827781
3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide
CID 119729796
7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
CID 119729777
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
CID 94647057
2-(3,5-difluorophenyl)-2-methoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 154845292
3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
CID 60516922
2-amino-2-(2-iodophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 166365058
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide?
The IUPAC name of 2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide (CID 51089323) is 2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide.
What is the SMILES notation for 2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide?
The canonical SMILES for 2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide is CCCCSC(C)C(=O)NC(C)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide?
The InChIKey is NBNSVVRZQBCJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-4-5-10-23-13(3)18(22)19-12(2)14-6-8-16-15(11-14)7-9-17(21)20-16/h6,8,11-13H,4-5,7,9-10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide?
2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide has a molecular weight of 334.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide is sourced from PubChem (CID 51089323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).