2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide

C21H22N2O2S — CID 56543299

IUPAC2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
SMILESCC(Sc1ccccc1)C(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C21H22N2O2S/c1-16(26-18-10-3-2-4-11-18)21(24)23-14-7-15-25-19-12-5-8-17-9-6-13-22-20(17)19/h2-6,8-13,16H,7,14-15H2,1H3,(H,23,24)
InChIKeySCKZOTWZJOVOMX-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.30
Rot. Bonds8

About 2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide

2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide (PubChem CID 56543299) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
PubChem CID56543299
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
SMILESCC(Sc1ccccc1)C(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C21H22N2O2S/c1-16(26-18-10-3-2-4-11-18)21(24)23-14-7-15-25-19-12-5-8-17-9-6-13-22-20(17)19/h2-6,8-13,16H,7,14-15H2,1H3,(H,23,24)
InChIKeySCKZOTWZJOVOMX-UHFFFAOYSA-N
XLogP4.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 40604017
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
(Z)-3-phenyl-N-(3-quinolin-8-yloxypropyl)but-2-enamide
CID 56534634
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide
CID 56585451
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
N-(2-quinolin-8-yloxyethyl)propan-2-amine
CID 29015226
1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976098
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide?
The IUPAC name of 2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide (CID 56543299) is 2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide?
The canonical SMILES for 2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide is CC(Sc1ccccc1)C(=O)NCCCOc1cccc2cccnc12.
What is the InChIKey of 2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide?
The InChIKey is SCKZOTWZJOVOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-16(26-18-10-3-2-4-11-18)21(24)23-14-7-15-25-19-12-5-8-17-9-6-13-22-20(17)19/h2-6,8-13,16H,7,14-15H2,1H3,(H,23,24).
What are the key properties of 2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide?
2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide has a molecular weight of 366.49 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide is sourced from PubChem (CID 56543299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).