N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide

C21H26N2O2S — CID 131906933

IUPACN-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NCCCN2CCCc3ccccc32)c1
InChIInChI=1S/C21H26N2O2S/c1-25-18-9-4-10-19(15-18)26-16-21(24)22-12-6-14-23-13-5-8-17-7-2-3-11-20(17)23/h2-4,7,9-11,15H,5-6,8,12-14,16H2,1H3,(H,22,24)
InChIKeyREZMRYTWGOEUHP-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.75
Rot. Bonds8

About N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide

N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 131906933) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID131906933
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NCCCN2CCCc3ccccc32)c1
InChIInChI=1S/C21H26N2O2S/c1-25-18-9-4-10-19(15-18)26-16-21(24)22-12-6-14-23-13-5-8-17-7-2-3-11-20(17)23/h2-4,7,9-11,15H,5-6,8,12-14,16H2,1H3,(H,22,24)
InChIKeyREZMRYTWGOEUHP-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.75
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

N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 28635305
5-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 119234511
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide
CID 86855573
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132655246
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3,5-dimethylphenoxy)butanamide
CID 132657155
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43227216
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(3,5-dimethylphenyl)urea
CID 23609343
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221065
2-(3-methoxyphenyl)sulfanyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95617068
2-(3-methoxyphenyl)sulfanyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 56783989
2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95617067

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide (CID 131906933) is N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)NCCCN2CCCc3ccccc32)c1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is REZMRYTWGOEUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-25-18-9-4-10-19(15-18)26-16-21(24)22-12-6-14-23-13-5-8-17-7-2-3-11-20(17)23/h2-4,7,9-11,15H,5-6,8,12-14,16H2,1H3,(H,22,24).
What are the key properties of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide?
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 370.52 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 131906933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).