N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

C21H27N3O2S — CID 72920922

IUPACN-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCc1ccccc1CSCCNC(=O)C(c1cccnc1)N1CCOCC1
InChIInChI=1S/C21H27N3O2S/c1-17-5-2-3-6-19(17)16-27-14-9-23-21(25)20(18-7-4-8-22-15-18)24-10-12-26-13-11-24/h2-8,15,20H,9-14,16H2,1H3,(H,23,25)
InChIKeyFSGJCWNDXOMTIN-UHFFFAOYSA-N
MW385.53 g/mol
LogP2.81
Rot. Bonds8

About N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (PubChem CID 72920922) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
PubChem CID72920922
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCc1ccccc1CSCCNC(=O)C(c1cccnc1)N1CCOCC1
InChIInChI=1S/C21H27N3O2S/c1-17-5-2-3-6-19(17)16-27-14-9-23-21(25)20(18-7-4-8-22-15-18)24-10-12-26-13-11-24/h2-8,15,20H,9-14,16H2,1H3,(H,23,25)
InChIKeyFSGJCWNDXOMTIN-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[2-(2-fluorophenyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97192696
(2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97188095
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72883606
N-[2-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72889150
N-(2-ethylsulfanylphenyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 131917262
N-[2-(dimethylsulfamoyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 74234487
(2R)-N-[2-(2-methylindol-1-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97208959
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72936879
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97268430
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97125327
N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 56755952
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 118795714

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (CID 72920922) is N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is Cc1ccccc1CSCCNC(=O)C(c1cccnc1)N1CCOCC1.
What is the InChIKey of N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The InChIKey is FSGJCWNDXOMTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-17-5-2-3-6-19(17)16-27-14-9-23-21(25)20(18-7-4-8-22-15-18)24-10-12-26-13-11-24/h2-8,15,20H,9-14,16H2,1H3,(H,23,25).
What are the key properties of N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide has a molecular weight of 385.53 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 72920922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).